ethyl N'-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate

Systemtic Name: ethyl N'-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate Openeye Name: 2-ethyl-3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]isothiourea CAS Name: N'-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate Traditional Name: 2-ethyl-3-[[(Z)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]isothiourea Formula: C10H13N3OS MolecularWeight: 223.29472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NNC=C1C=CC=CC1=O)N

Isomeric SMILES

CCS/C(=N/N/C=C\1/C=CC=CC1=O)/N

InChI

InChI=1S/C10H13N3OS/c1-2-15-10(11)13-12-7-8-5-3-4-6-9(8)14/h3-7,12H,2H2,1H3,(H2,11,13)/b8-7-