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

Systemtic Name: N-[3-aminocarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[3-carbamoyl-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(6-tert-amyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-thienyl)cinchoninamide Formula: C28H29N3O2S2 MolecularWeight: 503.67876

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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=CS5

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C28H29N3O2S2/c1-4-28(2,3)16-11-12-18-23(14-16)35-27(24(18)25(29)32)31-26(33)19-15-21(22-10-7-13-34-22)30-20-9-6-5-8-17(19)20/h5-10,13,15-16H,4,11-12,14H2,1-3H3,(H2,29,32)(H,31,33)