4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzamide

Systemtic Name: 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzamide Openeye Name: 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzamide CAS Name: 4-[[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-1-oxobutyl]amino]benzamide IUPAC Name: 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzamide Traditional Name: 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]butanoylamino]benzamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C21H22N4O2S/c1-2-18(20(27)24-16-9-7-13(8-10-16)19(23)26)28-21-15(12-22)11-14-5-3-4-6-17(14)25-21/h7-11,18H,2-6H2,1H3,(H2,23,26)(H,24,27)