2-(phenylcarbamothioylamino)butanoic acid

Systemtic Name: 2-(phenylcarbamothioylamino)butanoic acid Openeye Name: 2-(phenylcarbamothioylamino)butanoic acid CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]butanoic acid IUPAC Name: 2-(phenylcarbamothioylamino)butanoic acid Traditional Name: 2-(phenylthiocarbamoylamino)butyric acid Formula: C11H14N2O2S MolecularWeight: 238.30606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O2S/c1-2-9(10(14)15)13-11(16)12-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,14,15)(H2,12,13,16)