3-methyl-2-(phenylcarbamothioylamino)butanoic acid

Systemtic Name: 3-methyl-2-(phenylcarbamothioylamino)butanoic acid Openeye Name: 3-methyl-2-(phenylcarbamothioylamino)butanoic acid CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-3-methylbutanoic acid IUPAC Name: 3-methyl-2-(phenylcarbamothioylamino)butanoic acid Traditional Name: 3-methyl-2-(phenylthiocarbamoylamino)butyric acid Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=S)NC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C12H16N2O2S/c1-8(2)10(11(15)16)14-12(17)13-9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,15,16)(H2,13,14,17)