3-methyl-2-(phenylcarbonylcarbamothioylamino)butanoic acid

Systemtic Name: 3-methyl-2-(phenylcarbonylcarbamothioylamino)butanoic acid Openeye Name: 2-(benzoylcarbamothioylamino)-3-methyl-butanoic acid CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-3-methylbutanoic acid IUPAC Name: 2-(benzoylcarbamothioylamino)-3-methylbutanoic acid Traditional Name: 2-(benzoylthiocarbamoylamino)-3-methyl-butyric acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3S/c1-8(2)10(12(17)18)14-13(19)15-11(16)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,17,18)(H2,14,15,16,19)