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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-bromanyl-2-phenyl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-phenyl-quinoline-4-carboxamide CAS Name: 6-bromo-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylquinoline-4-carboxamide Traditional Name: 6-bromo-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-phenyl-cinchoninamide Formula: C25H20BrN3O2S MolecularWeight: 506.4142

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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)Br)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C25H20BrN3O2S/c26-15-10-11-19-17(12-15)18(13-20(28-19)14-6-2-1-3-7-14)24(31)29-25-22(23(27)30)16-8-4-5-9-21(16)32-25/h1-3,6-7,10-13H,4-5,8-9H2,(H2,27,30)(H,29,31)