ethyl N'-[[(E)-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3OS/c1-3-16-11(12)14-13-7-9-6-8(2)4-5-10(9)15/h4-7,13H,3H2,1-2H3,(H2,12,14)/b9-7+