3-methyl-N-[4-[(3-methylphenyl)carbonylcarbamothioyl]piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3-methyl-N-[4-[(3-methylphenyl)carbonylcarbamothioyl]piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3-methyl-N-[4-[(3-methylbenzoyl)carbamothioyl]piperazine-1-carbothioyl]benzamide CAS Name: 3-methyl-N-[[4-[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methyl-N-[4-[(3-methylbenzoyl)carbamothioyl]piperazine-1-carbothioyl]benzamide Traditional Name: 3-methyl-N-[4-(m-toluoylthiocarbamoyl)piperazine-1-carbothioyl]benzamide Formula: C22H24N4O2S2 MolecularWeight: 440.58156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S2/c1-15-5-3-7-17(13-15)19(27)23-21(29)25-9-11-26(12-10-25)22(30)24-20(28)18-8-4-6-16(2)14-18/h3-8,13-14H,9-12H2,1-2H3,(H,23,27,29)(H,24,28,30)