methyl 3-[(2-ethyl-6-methyl-phenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(2-ethyl-6-methyl-phenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(2-ethyl-6-methyl-phenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-ethyl-6-methylphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(2-ethyl-6-methyl-phenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC)C

InChI

InChI=1S/C19H20N2O3S/c1-4-13-8-5-7-12(2)16(13)20-19(25)21-17(22)14-9-6-10-15(11-14)18(23)24-3/h5-11H,4H2,1-3H3,(H2,20,21,22,25)