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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)OC)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)OC)Cl

InChI

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