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

Systemtic Name: 2,4-dimethoxy-N-[[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-2,4-dimethoxy-benzamide CAS Name: N-[[4-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2,4-dimethoxybenzamide IUPAC Name: N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-2,4-dimethoxybenzamide Traditional Name: N-[[4-(4-benzoylpiperazino)phenyl]thiocarbamoyl]-2,4-dimethoxy-benzamide Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O4S/c1-34-22-12-13-23(24(18-22)35-2)25(32)29-27(36)28-20-8-10-21(11-9-20)30-14-16-31(17-15-30)26(33)19-6-4-3-5-7-19/h3-13,18H,14-17H2,1-2H3,(H2,28,29,32,36)