TRIMEBUTINE 3-THIOCARBAMOYLBENZENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H29NO5.C7H7NO3S2
Molecular Weight	604.735
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TRIMEBUTINE 3-THIOCARBAMOYLBENZENESULFONATE

Structure Search

SMILES

NC(=S)C1=CC(=CC=C1)S(O)(=O)=O.CCC(COC(=O)C2=CC(OC)=C(OC)C(OC)=C2)(N(C)C)C3=CC=CC=C3

InChI

InChIKey=ACKBGPXURGPUEW-UHFFFAOYSA-N

InChI=1S/C22H29NO5.C7H7NO3S2/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5;8-7(12)5-2-1-3-6(4-5)13(9,10)11/h8-14H,7,15H2,1-6H3;1-4H,(H2,8,12)(H,9,10,11)

HIDE SMILES / InChI

Molecular Formula	C22H29NO5
Molecular Weight	387.4694
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	C7H7NO3S2
Molecular Weight	217.265
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:54:02 UTC 2023` Edited by `admin` on `Sat Dec 16 11:54:02 UTC 2023`
Record UNII	5O1CF9IS48
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIMEBUTINE 3-THIOCARBAMOYLBENZENESULFONATE

Common Name

English

3-CARBAMOTHIOYLBENZENESULFONIC ACID, (2-(DIMETHYLAMINO)-2-PHENYL-BUTYL) 3,4,5-TRIMETHOXYBENZOATE

Systematic Name

English

BENZOIC ACID, 3,4,5-TRIMETHOXY-, 2-(DIMETHYLAMINO)-2-PHENYLBUTYL ESTER, 3-(AMINOTHIOXOMETHYL)BENZENESULFONATE (1:1)

Systematic Name

English

GIC 1001

Code

English

GIC-1001

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C241