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

Systemtic Name: N-(3-aminocarbonyl-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-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-quinoline-4-carboxamide CAS Name: 2-(4-bromophenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-4-quinolinecarboxamide IUPAC Name: 2-(4-bromophenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloroquinoline-4-carboxamide Traditional Name: 2-(4-bromophenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-cinchoninamide Formula: C25H19BrClN3O2S MolecularWeight: 540.85926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=C(C=C5)Br)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=C(C=C5)Br)C(=O)N

InChI

InChI=1S/C25H19BrClN3O2S/c26-14-10-8-13(9-11-14)19-12-17(15-5-3-6-18(27)22(15)29-19)24(32)30-25-21(23(28)31)16-4-1-2-7-20(16)33-25/h3,5-6,8-12H,1-2,4,7H2,(H2,28,31)(H,30,32)