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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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