3-oxidanyl-2-(phenylcarbonylcarbamothioylamino)butanoic acid

Systemtic Name: 3-oxidanyl-2-(phenylcarbonylcarbamothioylamino)butanoic acid Openeye Name: 2-(benzoylcarbamothioylamino)-3-hydroxy-butanoic acid CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-(benzoylcarbamothioylamino)-3-hydroxybutanoic acid Traditional Name: 2-(benzoylthiocarbamoylamino)-3-hydroxy-butyric acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4S/c1-7(15)9(11(17)18)13-12(19)14-10(16)8-5-3-2-4-6-8/h2-7,9,15H,1H3,(H,17,18)(H2,13,14,16,19)