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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-bromophenyl)-6-chloranyl-quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloroquinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-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=C(C=C4)Cl)C5=CC(=CC=C5)Br

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC(=CC=C5)Br

InChI

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