N-(5-chloranyl-2-methyl-phenyl)-2-[[3-cyano-5-oxidanylidene-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-[[3-cyano-5-oxidanylidene-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(4-benzyloxyphenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(5-chloro-2-methyl-phenyl)acetamide CAS Name: N-(5-chloro-2-methylphenyl)-2-[[3-cyano-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]thio]acetamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-[[3-cyano-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(4-benzoxyphenyl)-3-cyano-5-keto-4,6,7,8-tetrahydro-1H-quinolin-2-yl]thio]-N-(5-chloro-2-methyl-phenyl)acetamide Formula: C32H28ClN3O3S MolecularWeight: 570.10102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C#N

InChI

InChI=1S/C32H28ClN3O3S/c1-20-10-13-23(33)16-27(20)35-29(38)19-40-32-25(17-34)30(31-26(36-32)8-5-9-28(31)37)22-11-14-24(15-12-22)39-18-21-6-3-2-4-7-21/h2-4,6-7,10-16,30,36H,5,8-9,18-19H2,1H3,(H,35,38)