N-[3-aminocarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6-bromanyl-2-(3-methylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[3-aminocarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6-bromanyl-2-(3-methylphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-[3-carbamoyl-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(m-tolyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methylphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(6-tert-amyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-bromo-2-(m-tolyl)cinchoninamide Formula: C31H32BrN3O2S MolecularWeight: 590.57368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC(=CC=C5)C

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC(=CC=C5)C

InChI

InChI=1S/C31H32BrN3O2S/c1-5-31(3,4)19-9-11-21-26(14-19)38-30(27(21)28(33)36)35-29(37)23-16-25(18-8-6-7-17(2)13-18)34-24-12-10-20(32)15-22(23)24/h6-8,10,12-13,15-16,19H,5,9,11,14H2,1-4H3,(H2,33,36)(H,35,37)