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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-bromophenyl)-7-chloranyl-8-methyl-quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-8-methyl-quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-8-methyl-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-8-methylquinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-8-methyl-cinchoninamide Formula: C28H25BrClN3O2S MolecularWeight: 582.939

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CC(=CC=C5)Br

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CC(=CC=C5)Br

InChI

InChI=1S/C28H25BrClN3O2S/c1-3-15-7-8-19-23(11-15)36-28(24(19)26(31)34)33-27(35)20-13-22(16-5-4-6-17(29)12-16)32-25-14(2)21(30)10-9-18(20)25/h4-6,9-10,12-13,15H,3,7-8,11H2,1-2H3,(H2,31,34)(H,33,35)