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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)Cl)C

InChI

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