2-methyl-N-[[4-[(2-methylphenyl)carbonylcarbamothioyl-phenethyl-amino]phenyl]carbamothioyl]benzamide

Systemtic Name: 2-methyl-N-[[4-[(2-methylphenyl)carbonylcarbamothioyl-phenethyl-amino]phenyl]carbamothioyl]benzamide Openeye Name: 2-methyl-N-[[4-[(2-methylbenzoyl)carbamothioyl-phenethyl-amino]phenyl]carbamothioyl]benzamide CAS Name: 2-methyl-N-[[4-[[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-phenethylamino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methyl-N-[[4-[(2-methylbenzoyl)carbamothioyl-phenethylamino]phenyl]carbamothioyl]benzamide Traditional Name: 2-methyl-N-[[4-[o-toluoylthiocarbamoyl(phenethyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C32H30N4O2S2 MolecularWeight: 566.7362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)N(CCC3=CC=CC=C3)C(=S)NC(=O)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)N(CCC3=CC=CC=C3)C(=S)NC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C32H30N4O2S2/c1-22-10-6-8-14-27(22)29(37)34-31(39)33-25-16-18-26(19-17-25)36(21-20-24-12-4-3-5-13-24)32(40)35-30(38)28-15-9-7-11-23(28)2/h3-19H,20-21H2,1-2H3,(H,35,38,40)(H2,33,34,37,39)