2-(phenylcarbonylcarbamothioylamino)butanoic acid

Systemtic Name: 2-(phenylcarbonylcarbamothioylamino)butanoic acid Openeye Name: 2-(benzoylcarbamothioylamino)butanoic acid CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]butanoic acid IUPAC Name: 2-(benzoylcarbamothioylamino)butanoic acid Traditional Name: 2-(benzoylthiocarbamoylamino)butyric acid Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O3S/c1-2-9(11(16)17)13-12(18)14-10(15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,16,17)(H2,13,14,15,18)