methyl 3-(2-oxidanylpropylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 3-(2-oxidanylpropylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 3-(2-hydroxypropylcarbamothioylcarbamoyl)benzoate CAS Name: 3-[[[(2-hydroxypropylamino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(2-hydroxypropylcarbamothioylcarbamoyl)benzoate Traditional Name: 3-(2-hydroxypropylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=S)NC(=O)C1=CC(=CC=C1)C(=O)OC)O

Isomeric SMILES

CC(CNC(=S)NC(=O)C1=CC(=CC=C1)C(=O)OC)O

InChI

InChI=1S/C13H16N2O4S/c1-8(16)7-14-13(20)15-11(17)9-4-3-5-10(6-9)12(18)19-2/h3-6,8,16H,7H2,1-2H3,(H2,14,15,17,20)