N-[[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[3-chloro-2-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C28H29ClN4O2S MolecularWeight: 521.07346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C4=CC(=CC(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C28H29ClN4O2S/c1-18-7-9-21(10-8-18)27(35)33-13-11-32(12-14-33)25-23(29)5-4-6-24(25)30-28(36)31-26(34)22-16-19(2)15-20(3)17-22/h4-10,15-17H,11-14H2,1-3H3,(H2,30,31,34,36)