2-(4-chlorophenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-quinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-methyl-quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylquinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-methyl-cinchoninamide Formula: C27H22ClN3OS MolecularWeight: 472.00108

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C27H22ClN3OS/c1-15-7-12-19-21(14-29)27(33-23(19)13-15)31-26(32)24-16(2)25(17-8-10-18(28)11-9-17)30-22-6-4-3-5-20(22)24/h3-6,8-11,15H,7,12-13H2,1-2H3,(H,31,32)