methyl N'-[[(Z)-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate

Systemtic Name: methyl N'-[[(Z)-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate Openeye Name: 3-[[(Z)-(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-methyl-isothiourea CAS Name: N'-[[(Z)-(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[[(Z)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate Traditional Name: 3-[[(Z)-(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-methyl-isothiourea Formula: C10H13N3O2S MolecularWeight: 239.29412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=CNN=C(N)SC)C1=O

Isomeric SMILES

COC1=CC=C/C(=C/N/N=C(\N)/SC)/C1=O

InChI

InChI=1S/C10H13N3O2S/c1-15-8-5-3-4-7(9(8)14)6-12-13-10(11)16-2/h3-6,12H,1-2H3,(H2,11,13)/b7-6-