(2R,3S)-3-methyl-2-(phenylcarbamothioylamino)pentanoate

Systemtic Name: (2R,3S)-3-methyl-2-(phenylcarbamothioylamino)pentanoate Openeye Name: (2R,3S)-3-methyl-2-(phenylcarbamothioylamino)pentanoate CAS Name: (2R,3S)-2-[[anilino(sulfanylidene)methyl]amino]-3-methylpentanoate IUPAC Name: (2R,3S)-3-methyl-2-(phenylcarbamothioylamino)pentanoate Traditional Name: (2R,3S)-3-methyl-2-(phenylthiocarbamoylamino)valerate Formula: C13H17N2O2S- MolecularWeight: 265.35128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=S)NC1=CC=CC=C1

Isomeric SMILES

CC[C@H](C)[C@H](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)/p-1/t9-,11+/m0/s1