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

Systemtic Name: ethyl 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-ethyl-isothiourea CAS Name: N'-[[(Z)-(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]carbamimidothioic acid ethyl ester IUPAC Name: ethyl 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-ethyl-isothiourea Formula: C11H14BrN3O2S MolecularWeight: 332.21676

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NNC=C1C=C(C(=O)C(=C1)Br)OC)N

Isomeric SMILES

CCS/C(=N/N/C=C\1/C=C(C(=O)C(=C1)Br)OC)/N

InChI

InChI=1S/C11H14BrN3O2S/c1-3-18-11(13)15-14-6-7-4-8(12)10(16)9(5-7)17-2/h4-6,14H,3H2,1-2H3,(H2,13,15)/b7-6+