N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-3,6-dimethyl-quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-3,6-dimethyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-ethoxyphenyl)-3,6-dimethyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-3,6-dimethyl-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-3,6-dimethylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,6-dimethyl-2-p-phenetyl-cinchoninamide Formula: C31H33N3O3S MolecularWeight: 527.67702

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C4C=C(C=CC4=NC(=C3C)C5=CC=C(C=C5)OCC)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C4C=C(C=CC4=NC(=C3C)C5=CC=C(C=C5)OCC)C

InChI

InChI=1S/C31H33N3O3S/c1-5-19-8-13-22-25(16-19)38-31(27(22)29(32)35)34-30(36)26-18(4)28(20-9-11-21(12-10-20)37-6-2)33-24-14-7-17(3)15-23(24)26/h7,9-12,14-15,19H,5-6,8,13,16H2,1-4H3,(H2,32,35)(H,34,36)