3-ethylsulfanyl-2-(phenylcarbamothioylamino)propanoic acid

Systemtic Name: 3-ethylsulfanyl-2-(phenylcarbamothioylamino)propanoic acid Openeye Name: 3-ethylsulfanyl-2-(phenylcarbamothioylamino)propanoic acid CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-3-(ethylthio)propanoic acid IUPAC Name: 3-ethylsulfanyl-2-(phenylcarbamothioylamino)propanoic acid Traditional Name: 3-(ethylthio)-2-(phenylthiocarbamoylamino)propionic acid Formula: C12H16N2O2S2 MolecularWeight: 284.39764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O2S2/c1-2-18-8-10(11(15)16)14-12(17)13-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,15,16)(H2,13,14,17)