methyl N'-methyl-N-[(Z)-1-oxidanyl-3-oxidanylidene-but-1-enyl]carbamimidothioate

Systemtic Name: methyl N'-methyl-N-[(Z)-1-oxidanyl-3-oxidanylidene-but-1-enyl]carbamimidothioate Openeye Name: 1-[(Z)-1-hydroxy-3-oxo-but-1-enyl]-2,3-dimethyl-isothiourea CAS Name: N-[(Z)-1-hydroxy-3-oxobut-1-enyl]-N'-methylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(Z)-1-hydroxy-3-oxobut-1-enyl]-N'-methylcarbamimidothioate Traditional Name: 1-[(Z)-1-hydroxy-3-keto-but-1-enyl]-2,3-dimethyl-isothiourea Formula: C7H12N2O2S MolecularWeight: 188.24738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=C(NC(=NC)SC)O

Isomeric SMILES

CC(=O)/C=C(/NC(=NC)SC)\O

InChI

InChI=1S/C7H12N2O2S/c1-5(10)4-6(11)9-7(8-2)12-3/h4,11H,1-3H3,(H,8,9)/b6-4-