2-(3-bromophenyl)-N-[(4-methyl-1,4-diazepan-1-yl)carbothioyl]quinoline-4-carboxamide

Systemtic Name: 2-(3-bromophenyl)-N-[(4-methyl-1,4-diazepan-1-yl)carbothioyl]quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-(4-methyl-1,4-diazepane-1-carbothioyl)quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-[(4-methyl-1,4-diazepan-1-yl)-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-(4-methyl-1,4-diazepane-1-carbothioyl)quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-(4-methyl-1,4-diazepane-1-carbothioyl)cinchoninamide Formula: C23H23BrN4OS MolecularWeight: 483.42392

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

Isomeric SMILES

CN1CCCN(CC1)C(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H23BrN4OS/c1-27-10-5-11-28(13-12-27)23(30)26-22(29)19-15-21(16-6-4-7-17(24)14-16)25-20-9-3-2-8-18(19)20/h2-4,6-9,14-15H,5,10-13H2,1H3,(H,26,29,30)