2-(2-methylphenyl)-N-[[3-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(2-methylphenyl)-N-[[3-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]ethanamide Openeye Name: N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-2-(o-tolyl)acetamide CAS Name: 2-(2-methylphenyl)-N-[[3-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-methylphenyl)-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]acetamide Traditional Name: N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-2-(o-tolyl)acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C

InChI

InChI=1S/C22H26N4O2S/c1-16-6-3-4-7-17(16)15-20(27)24-22(29)23-19-9-5-8-18(14-19)21(28)26-12-10-25(2)11-13-26/h3-9,14H,10-13,15H2,1-2H3,(H2,23,24,27,29)