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2-[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide

2-[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide

Systemtic Name:2-[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide
Openeye Name:2-[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide
CAS Name:2-[[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-1-oxopropyl]amino]benzamide
IUPAC Name:2-[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide
Traditional Name:2-[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanoylamino]benzamide
Formula: C21H22N4O2S
MolecularWeight: 394.48998
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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SC(C)C(=O)NC3=CC=CC=C3C(=O)N)C#N


Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SC(C)C(=O)NC3=CC=CC=C3C(=O)N)C#N


InChI

InChI=1S/C21H22N4O2S/c1-12-7-8-17-14(9-12)10-15(11-22)21(25-17)28-13(2)20(27)24-18-6-4-3-5-16(18)19(23)26/h3-6,10,12-13H,7-9H2,1-2H3,(H2,23,26)(H,24,27)


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