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

Systemtic Name: propyl N'-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate Openeye Name: 3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-propyl-isothiourea CAS Name: N'-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]carbamimidothioic acid propyl ester IUPAC Name: propyl N'-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate Traditional Name: 3-[[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-propyl-isothiourea Formula: C11H15N3OS MolecularWeight: 237.3213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3OS/c1-2-7-16-11(12)14-13-8-9-5-3-4-6-10(9)15/h3-6,8,13H,2,7H2,1H3,(H2,12,14)/b9-8+