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

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenyl)-3-methyl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,4-dichlorophenyl)-3-methyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenyl)-3-methyl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,4-dichlorophenyl)-3-methyl-cinchoninamide Formula: C27H21Cl2N3OS MolecularWeight: 506.44614

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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=C(C=C(C=C5)Cl)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C27H21Cl2N3OS/c1-14-7-9-17-20(13-30)27(34-23(17)11-14)32-26(33)24-15(2)25(18-10-8-16(28)12-21(18)29)31-22-6-4-3-5-19(22)24/h3-6,8,10,12,14H,7,9,11H2,1-2H3,(H,32,33)