methyl N-(1-oxidanylidenepropan-2-yl)-N-phenyl-carbamimidothioate

Systemtic Name: methyl N-(1-oxidanylidenepropan-2-yl)-N-phenyl-carbamimidothioate Openeye Name: 2-methyl-1-(1-methyl-2-oxo-ethyl)-1-phenyl-isothiourea CAS Name: N-(1-oxopropan-2-yl)-N-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(1-oxopropan-2-yl)-N-phenylcarbamimidothioate Traditional Name: 1-(2-keto-1-methyl-ethyl)-2-methyl-1-phenyl-isothiourea Formula: C11H14N2OS MolecularWeight: 222.30666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)N(C1=CC=CC=C1)C(=N)SC

Isomeric SMILES

CC(C=O)N(C1=CC=CC=C1)C(=N)SC

InChI

InChI=1S/C11H14N2OS/c1-9(8-14)13(11(12)15-2)10-6-4-3-5-7-10/h3-9,12H,1-2H3