N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-isobutylphenyl)-6-methyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-isobutylphenyl)-6-methyl-cinchoninamide Formula: C32H35N3O2S MolecularWeight: 525.7042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=C(C=C5)CC(C)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=C(C=C5)CC(C)C

InChI

InChI=1S/C32H35N3O2S/c1-5-20-9-12-23-28(16-20)38-32(29(23)30(33)36)35-31(37)25-17-27(34-26-13-6-19(4)15-24(25)26)22-10-7-21(8-11-22)14-18(2)3/h6-8,10-11,13,15,17-18,20H,5,9,12,14,16H2,1-4H3,(H2,33,36)(H,35,37)