N-[[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[4-(4-benzoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[4-(4-benzoyl-1-piperazinyl)-3-chloroanilino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[4-(4-benzoylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C27H27ClN4O2S MolecularWeight: 507.04688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN4O2S/c1-18-14-19(2)16-21(15-18)25(33)30-27(35)29-22-8-9-24(23(28)17-22)31-10-12-32(13-11-31)26(34)20-6-4-3-5-7-20/h3-9,14-17H,10-13H2,1-2H3,(H2,29,30,33,35)