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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-tert-butylphenyl)-6,8-dimethyl-quinoline-4-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxamide CAS Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-4-quinolinecarboxamide IUPAC Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethylquinoline-4-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-cinchoninamide Formula: C31H33N3O2S MolecularWeight: 511.67762

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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(=O)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(=O)N)C

InChI

InChI=1S/C31H33N3O2S/c1-17-14-18(2)27-22(15-17)23(16-24(33-27)19-10-12-20(13-11-19)31(3,4)5)29(36)34-30-26(28(32)35)21-8-6-7-9-25(21)37-30/h10-16H,6-9H2,1-5H3,(H2,32,35)(H,34,36)