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

Systemtic Name: N-[3-aminocarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[3-carbamoyl-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide CAS Name: N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(6-tert-amyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-methoxyphenyl)cinchoninamide Formula: C31H33N3O3S MolecularWeight: 527.67702

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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=CC=CC=C43)C5=CC(=CC=C5)OC

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OC

InChI

InChI=1S/C31H33N3O3S/c1-5-31(2,3)19-13-14-22-26(16-19)38-30(27(22)28(32)35)34-29(36)23-17-25(18-9-8-10-20(15-18)37-4)33-24-12-7-6-11-21(23)24/h6-12,15,17,19H,5,13-14,16H2,1-4H3,(H2,32,35)(H,34,36)