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

Systemtic Name: methyl 3-[(4-hydroxyphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(4-hydroxyphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(4-hydroxyanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-hydroxyphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(4-hydroxyphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C16H14N2O4S MolecularWeight: 330.35836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)O

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)O

InChI

InChI=1S/C16H14N2O4S/c1-22-15(21)11-4-2-3-10(9-11)14(20)18-16(23)17-12-5-7-13(19)8-6-12/h2-9,19H,1H3,(H2,17,18,20,23)