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

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-methyl-2-(p-tolyl)quinoline-4-carboxamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-methyl-2-(p-tolyl)cinchoninamide Formula: C31H31N3OS MolecularWeight: 493.66234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C#N

InChI

InChI=1S/C31H31N3OS/c1-18-10-12-20(13-11-18)28-19(2)27(23-8-6-7-9-25(23)33-28)29(35)34-30-24(17-32)22-15-14-21(31(3,4)5)16-26(22)36-30/h6-13,21H,14-16H2,1-5H3,(H,34,35)