methyl N'-[[(Z)-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]carbamimidothioate

Systemtic Name: methyl N'-[[(Z)-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]carbamimidothioate Openeye Name: 3-[[(Z)-(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-methyl-isothiourea CAS Name: N'-[[(Z)-(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[[(Z)-(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]carbamimidothioate Traditional Name: 3-[[(Z)-(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-methyl-isothiourea Formula: C10H12BrN3O2S MolecularWeight: 318.19018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12BrN3O2S/c1-16-8-4-6(3-7(11)9(8)15)5-13-14-10(12)17-2/h3-5,13H,1-2H3,(H2,12,14)/b6-5+