3-methyl-2-(phenylcarbamothioylamino)pentanoic acid

Systemtic Name: 3-methyl-2-(phenylcarbamothioylamino)pentanoic acid Openeye Name: 3-methyl-2-(phenylcarbamothioylamino)pentanoic acid CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-3-methylpentanoic acid IUPAC Name: 3-methyl-2-(phenylcarbamothioylamino)pentanoic acid Traditional Name: 3-methyl-2-(phenylthiocarbamoylamino)valeric acid Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2S/c1-3-9(2)11(12(16)17)15-13(18)14-10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H,16,17)(H2,14,15,18)