methyl 3-(3-oxidanylpropylcarbamothioylcarbamoyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NCCCO

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NCCCO

InChI

InChI=1S/C13H16N2O4S/c1-19-12(18)10-5-2-4-9(8-10)11(17)15-13(20)14-6-3-7-16/h2,4-5,8,16H,3,6-7H2,1H3,(H2,14,15,17,20)