ANA-12

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H21N3O3S
Molecular Weight	407.485
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C(NC1=C(C=CC=C1)C(=O)NC2CCCCNC2=O)C3=CC4=CC=CC=C4S3

InChI

InChIKey=TUSCYCAIGRVBMD-UHFFFAOYSA-N

InChI=1S/C22H21N3O3S/c26-20(25-17-10-5-6-12-23-21(17)27)15-8-2-3-9-16(15)24-22(28)19-13-14-7-1-4-11-18(14)29-19/h1-4,7-9,11,13,17H,5-6,10,12H2,(H,23,27)(H,24,28)(H,25,26)

HIDE SMILES / InChI

Molecular Formula	C22H21N3O3S
Molecular Weight	407.485
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:59:48 UTC 2023` Edited by `admin` on `Sat Dec 16 16:59:48 UTC 2023`
Record UNII	54S4JPT8JX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANA-12

Common Name

English

BENZO(B)THIOPHENE-2-CARBOXAMIDE, N-(2-(((HEXAHYDRO-2-OXO-1H-AZEPIN-3-YL)AMINO)CARBONYL)PHENYL)-

Systematic Name

English

N-(2-(((HEXAHYDRO-2-OXO-1H-AZEPIN-3-YL)AMINO)CARBONYL)PHENYL)BENZO(B)THIOPHENE-2-CARBOXAMIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

54S4JPT8JX