methyl 3-(1-oxidanylbutan-2-ylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 3-(1-oxidanylbutan-2-ylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 3-[1-(hydroxymethyl)propylcarbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(1-hydroxybutan-2-ylamino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(1-hydroxybutan-2-ylcarbamothioylcarbamoyl)benzoate Traditional Name: 3-(1-methylolpropylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC(=S)NC(=O)C1=CC(=CC=C1)C(=O)OC

Isomeric SMILES

CCC(CO)NC(=S)NC(=O)C1=CC(=CC=C1)C(=O)OC

InChI

InChI=1S/C14H18N2O4S/c1-3-11(8-17)15-14(21)16-12(18)9-5-4-6-10(7-9)13(19)20-2/h4-7,11,17H,3,8H2,1-2H3,(H2,15,16,18,21)