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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-bromophenyl)-8-chloranyl-quinoline-4-carboxamide Openeye Name: 2-(4-bromophenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-quinoline-4-carboxamide CAS Name: 2-(4-bromophenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-4-quinolinecarboxamide IUPAC Name: 2-(4-bromophenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloroquinoline-4-carboxamide Traditional Name: 2-(4-bromophenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-cinchoninamide Formula: C27H23BrClN3O2S MolecularWeight: 568.91242

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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=C(C=C5)Br

Isomeric SMILES

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

InChI

InChI=1S/C27H23BrClN3O2S/c1-2-14-6-11-18-22(12-14)35-27(23(18)25(30)33)32-26(34)19-13-21(15-7-9-16(28)10-8-15)31-24-17(19)4-3-5-20(24)29/h3-5,7-10,13-14H,2,6,11-12H2,1H3,(H2,30,33)(H,32,34)