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

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

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)Br)C(=O)N

InChI

InChI=1S/C25H19BrClN3O2S/c26-14-7-5-13(6-8-14)20-12-18(17-11-15(27)9-10-19(17)29-20)24(32)30-25-22(23(28)31)16-3-1-2-4-21(16)33-25/h5-12H,1-4H2,(H2,28,31)(H,30,32)