2-(3-bromophenyl)-N-[methyl-(1-methylpiperidin-4-yl)carbamothioyl]quinoline-4-carboxamide

Systemtic Name: 2-(3-bromophenyl)-N-[methyl-(1-methylpiperidin-4-yl)carbamothioyl]quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-[methyl-(1-methyl-4-piperidyl)carbamothioyl]quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-[[methyl-(1-methyl-4-piperidinyl)amino]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-[methyl-(1-methylpiperidin-4-yl)carbamothioyl]quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-[methyl-(1-methyl-4-piperidyl)thiocarbamoyl]cinchoninamide Formula: C24H25BrN4OS MolecularWeight: 497.4505

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

Isomeric SMILES

CN1CCC(CC1)N(C)C(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

InChI

InChI=1S/C24H25BrN4OS/c1-28-12-10-18(11-13-28)29(2)24(31)27-23(30)20-15-22(16-6-5-7-17(25)14-16)26-21-9-4-3-8-19(20)21/h3-9,14-15,18H,10-13H2,1-2H3,(H,27,30,31)