3-chloranyl-4-methyl-N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-methyl-N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methyl-benzamide CAS Name: N-[[2-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-chloro-4-methylbenzamide IUPAC Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide Traditional Name: N-[[2-(4-benzoylpiperazino)phenyl]thiocarbamoyl]-3-chloro-4-methyl-benzamide Formula: C26H25ClN4O2S MolecularWeight: 493.0203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C26H25ClN4O2S/c1-18-11-12-20(17-21(18)27)24(32)29-26(34)28-22-9-5-6-10-23(22)30-13-15-31(16-14-30)25(33)19-7-3-2-4-8-19/h2-12,17H,13-16H2,1H3,(H2,28,29,32,34)