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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H24N2O2S
Molecular Weight 320.45
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAK-418 FREE BASE

SMILES

O=C(NC1CCOCC1)C2=CSC(=C2)[C@@H]3C[C@H]3NCC4CC4

InChI

InChIKey=QZNGFWQWWSECMG-HUUCEWRRSA-N
InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H24N2O2S
Molecular Weight 320.45
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
N9N6RK0CBN
Record Status Validated (UNII)
Record Version