N-[[5-chloranyl-2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[[5-chloranyl-2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[[2-(4-benzoylpiperazin-1-yl)-5-chloro-phenyl]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[2-(4-benzoyl-1-piperazinyl)-5-chloroanilino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[[2-(4-benzoylpiperazin-1-yl)-5-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[[2-(4-benzoylpiperazino)-5-chloro-phenyl]thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C27H27ClN4O4S MolecularWeight: 539.04568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H27ClN4O4S/c1-35-22-9-6-10-23(36-2)24(22)25(33)30-27(37)29-20-17-19(28)11-12-21(20)31-13-15-32(16-14-31)26(34)18-7-4-3-5-8-18/h3-12,17H,13-16H2,1-2H3,(H2,29,30,33,37)