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

Systemtic Name: 2,4-dimethyl-N-[[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-2,4-dimethyl-benzamide CAS Name: N-[[4-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2,4-dimethylbenzamide IUPAC Name: N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-2,4-dimethylbenzamide Traditional Name: N-[[4-(4-benzoylpiperazino)phenyl]thiocarbamoyl]-2,4-dimethyl-benzamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C27H28N4O2S/c1-19-8-13-24(20(2)18-19)25(32)29-27(34)28-22-9-11-23(12-10-22)30-14-16-31(17-15-30)26(33)21-6-4-3-5-7-21/h3-13,18H,14-17H2,1-2H3,(H2,28,29,32,34)