N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-butan-2-ylphenyl)-6-methyl-quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-butan-2-ylphenyl)-6-methyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-2-(4-sec-butylphenyl)quinoline-4-carboxamide CAS Name: 2-(4-butan-2-ylphenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4-quinolinecarboxamide IUPAC Name: 2-(4-butan-2-ylphenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-2-(4-sec-butylphenyl)cinchoninamide Formula: C32H35N3O2S MolecularWeight: 525.7042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=C(C=C5)C(C)CC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=C(C=C5)C(C)CC

InChI

InChI=1S/C32H35N3O2S/c1-5-19(4)21-9-11-22(12-10-21)27-17-25(24-15-18(3)7-14-26(24)34-27)31(37)35-32-29(30(33)36)23-13-8-20(6-2)16-28(23)38-32/h7,9-12,14-15,17,19-20H,5-6,8,13,16H2,1-4H3,(H2,33,36)(H,35,37)