(2S)-3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-2-(phenylcarbamothioylamino)propanoate

Systemtic Name: (2S)-3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-2-(phenylcarbamothioylamino)propanoate Openeye Name: (2S)-3-(2-oxido-2-oxo-ethyl)sulfanyl-2-(phenylcarbamothioylamino)propanoate CAS Name: (2S)-2-[[anilino(sulfanylidene)methyl]amino]-3-[(2-oxido-2-oxoethyl)thio]propanoate IUPAC Name: (2S)-3-(2-oxido-2-oxoethyl)sulfanyl-2-(phenylcarbamothioylamino)propanoate Traditional Name: (2S)-3-[(2-keto-2-oxido-ethyl)thio]-2-(phenylthiocarbamoylamino)propionate Formula: C12H12N2O4S2-2 MolecularWeight: 312.36468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)N[C@H](CSCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H14N2O4S2/c15-10(16)7-20-6-9(11(17)18)14-12(19)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)(H,17,18)(H2,13,14,19)/p-2/t9-/m1/s1