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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloranyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-3-methyl-2-(p-tolyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-3-methyl-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-3-methyl-2-(p-tolyl)cinchoninamide Formula: C29H28ClN3O2S MolecularWeight: 518.06952

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H28ClN3O2S/c1-4-17-7-11-20-23(13-17)36-29(25(20)27(31)34)33-28(35)24-16(3)26(18-8-5-15(2)6-9-18)32-22-12-10-19(30)14-21(22)24/h5-6,8-10,12,14,17H,4,7,11,13H2,1-3H3,(H2,31,34)(H,33,35)