methyl 2-[3-(4-methylphenyl)prop-2-enoylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[3-(4-methylphenyl)prop-2-enoylcarbamothioylamino]benzoate Openeye Name: methyl 2-[3-(p-tolyl)prop-2-enoylcarbamothioylamino]benzoate CAS Name: 2-[[[[3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(4-methylphenyl)prop-2-enoylcarbamothioylamino]benzoate Traditional Name: 2-[[3-(p-tolyl)acryloyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C19H18N2O3S/c1-13-7-9-14(10-8-13)11-12-17(22)21-19(25)20-16-6-4-3-5-15(16)18(23)24-2/h3-12H,1-2H3,(H2,20,21,22,25)