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

Systemtic Name: 4-[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzamide Openeye Name: 4-[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzamide CAS Name: 4-[[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-1-oxobutyl]amino]benzamide IUPAC Name: 4-[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzamide Traditional Name: 4-[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]butanoylamino]benzamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N

InChI

InChI=1S/C27H26N4O2S/c1-2-24(26(33)30-22-11-8-18(9-12-22)25(29)32)34-27-21(16-28)15-20-14-19(10-13-23(20)31-27)17-6-4-3-5-7-17/h3-9,11-12,15,19,24H,2,10,13-14H2,1H3,(H2,29,32)(H,30,33)