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

Systemtic Name: N-[[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[[3-chloro-2-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C28H29ClN4O4S MolecularWeight: 553.07226

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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(=C(C=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H29ClN4O4S/c1-18-7-9-19(10-8-18)27(35)33-15-13-32(14-16-33)25-21(29)5-4-6-22(25)30-28(38)31-26(34)20-11-12-23(36-2)24(17-20)37-3/h4-12,17H,13-16H2,1-3H3,(H2,30,31,34,38)