2-(4-tert-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxamide

Systemtic Name: 2-(4-tert-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxamide CAS Name: 2-(4-tert-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-4-quinolinecarboxamide IUPAC Name: 2-(4-tert-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethylquinoline-4-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-cinchoninamide Formula: C31H31N3OS MolecularWeight: 493.66234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)C

InChI

InChI=1S/C31H31N3OS/c1-18-14-19(2)28-23(15-18)24(16-26(33-28)20-10-12-21(13-11-20)31(3,4)5)29(35)34-30-25(17-32)22-8-6-7-9-27(22)36-30/h10-16H,6-9H2,1-5H3,(H,34,35)