N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloranyl-2-(2-methylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloranyl-2-(2-methylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-2-(o-tolyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-2-(2-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-2-(2-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-2-(o-tolyl)cinchoninamide Formula: C28H26ClN3O2S MolecularWeight: 504.04294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=CC=C5C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=CC=C5C

InChI

InChI=1S/C28H26ClN3O2S/c1-3-16-11-12-19-23(13-16)35-28(24(19)26(30)33)32-27(34)20-14-22(17-8-5-4-7-15(17)2)31-25-18(20)9-6-10-21(25)29/h4-10,14,16H,3,11-13H2,1-2H3,(H2,30,33)(H,32,34)