methyl 2-(furan-2-ylcarbonylcarbamothioylamino)-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-(furan-2-ylcarbonylcarbamothioylamino)-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-(furan-2-carbonylcarbamothioylamino)propanoate CAS Name: 2-[[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-(furan-2-carbonylcarbamothioylamino)propanoate Traditional Name: 3-(benzylthio)-2-(2-furoylthiocarbamoylamino)propionic acid methyl ester Formula: C17H18N2O4S2 MolecularWeight: 378.46582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NC(=S)NC(=O)C2=CC=CO2

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NC(=S)NC(=O)C2=CC=CO2

InChI

InChI=1S/C17H18N2O4S2/c1-22-16(21)13(11-25-10-12-6-3-2-4-7-12)18-17(24)19-15(20)14-8-5-9-23-14/h2-9,13H,10-11H2,1H3,(H2,18,19,20,24)