methyl 4-[2-(2-methylphenyl)ethanoylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-(2-methylphenyl)ethanoylcarbamothioylamino]benzoate Openeye Name: methyl 4-[[2-(o-tolyl)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(o-tolyl)acetyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-12-5-3-4-6-14(12)11-16(21)20-18(24)19-15-9-7-13(8-10-15)17(22)23-2/h3-10H,11H2,1-2H3,(H2,19,20,21,24)