N-[[2-methyl-4-[[3-methyl-4-(phenylcarbonylcarbamothioylamino)phenyl]methyl]phenyl]carbamothioyl]benzamide

Systemtic Name: N-[[2-methyl-4-[[3-methyl-4-(phenylcarbonylcarbamothioylamino)phenyl]methyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-[[4-(benzoylcarbamothioylamino)-3-methyl-phenyl]methyl]-2-methyl-phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[[4-[[benzamido(sulfanylidene)methyl]amino]-3-methylphenyl]methyl]-2-methylanilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-[[4-(benzoylcarbamothioylamino)-3-methylphenyl]methyl]-2-methylphenyl]carbamothioyl]benzamide Traditional Name: N-[[4-[4-(benzoylthiocarbamoylamino)-3-methyl-benzyl]-2-methyl-phenyl]thiocarbamoyl]benzamide Formula: C31H28N4O2S2 MolecularWeight: 552.70962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3)C)NC(=S)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3)C)NC(=S)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H28N4O2S2/c1-20-17-22(13-15-26(20)32-30(38)34-28(36)24-9-5-3-6-10-24)19-23-14-16-27(21(2)18-23)33-31(39)35-29(37)25-11-7-4-8-12-25/h3-18H,19H2,1-2H3,(H2,32,34,36,38)(H2,33,35,37,39)