2-(2-chlorophenyl)-N-[4-(4-methoxyphenyl)piperazin-1-yl]carbothioyl-quinoline-4-carboxamide

Systemtic Name: 2-(2-chlorophenyl)-N-[4-(4-methoxyphenyl)piperazin-1-yl]carbothioyl-quinoline-4-carboxamide Openeye Name: 2-(2-chlorophenyl)-N-[4-(4-methoxyphenyl)piperazine-1-carbothioyl]quinoline-4-carboxamide CAS Name: 2-(2-chlorophenyl)-N-[[4-(4-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(2-chlorophenyl)-N-[4-(4-methoxyphenyl)piperazine-1-carbothioyl]quinoline-4-carboxamide Traditional Name: 2-(2-chlorophenyl)-N-[4-(4-methoxyphenyl)piperazine-1-carbothioyl]cinchoninamide Formula: C28H25ClN4O2S MolecularWeight: 517.0417

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

InChI

InChI=1S/C28H25ClN4O2S/c1-35-20-12-10-19(11-13-20)32-14-16-33(17-15-32)28(36)31-27(34)23-18-26(22-7-2-4-8-24(22)29)30-25-9-5-3-6-21(23)25/h2-13,18H,14-17H2,1H3,(H,31,34,36)