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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-2-(p-tolyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-2-(p-tolyl)cinchoninamide Formula: C29H29N3O2S MolecularWeight: 483.62446

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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)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)C

InChI

InChI=1S/C29H29N3O2S/c1-4-18-8-11-20-25(14-18)35-29(26(20)27(30)33)32-28(34)22-15-24(19-9-5-16(2)6-10-19)31-23-12-7-17(3)13-21(22)23/h5-7,9-10,12-13,15,18H,4,8,11,14H2,1-3H3,(H2,30,33)(H,32,34)