4-[2-(2-methylphenyl)ethanoylcarbamothioylamino]-N-(1-phenylethyl)benzamide

Systemtic Name: 4-[2-(2-methylphenyl)ethanoylcarbamothioylamino]-N-(1-phenylethyl)benzamide Openeye Name: 4-[[2-(o-tolyl)acetyl]carbamothioylamino]-N-(1-phenylethyl)benzamide CAS Name: 4-[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 4-[[2-(2-methylphenyl)acetyl]carbamothioylamino]-N-(1-phenylethyl)benzamide Traditional Name: 4-[[2-(o-tolyl)acetyl]thiocarbamoylamino]-N-(1-phenylethyl)benzamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C25H25N3O2S/c1-17-8-6-7-11-21(17)16-23(29)28-25(31)27-22-14-12-20(13-15-22)24(30)26-18(2)19-9-4-3-5-10-19/h3-15,18H,16H2,1-2H3,(H,26,30)(H2,27,28,29,31)