methyl 3-[(4-ethoxycarbonylphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(4-ethoxycarbonylphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(4-ethoxycarbonylphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-ethoxycarbonylphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(4-carbethoxyphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C19H18N2O5S/c1-3-26-18(24)12-7-9-15(10-8-12)20-19(27)21-16(22)13-5-4-6-14(11-13)17(23)25-2/h4-11H,3H2,1-2H3,(H2,20,21,22,27)