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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,6-dimethyl-2-(p-tolyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,6-dimethyl-2-(p-tolyl)cinchoninamide Formula: C30H31N3O2S MolecularWeight: 497.65104

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H31N3O2S/c1-5-19-9-12-21-24(15-19)36-30(26(21)28(31)34)33-29(35)25-18(4)27(20-10-6-16(2)7-11-20)32-23-13-8-17(3)14-22(23)25/h6-8,10-11,13-14,19H,5,9,12,15H2,1-4H3,(H2,31,34)(H,33,35)