methyl N-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-N'-phenyl-carbamimidothioate

Systemtic Name: methyl N-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-N'-phenyl-carbamimidothioate Openeye Name: 1-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-methyl-3-phenyl-isothiourea CAS Name: N-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-N'-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-N'-phenylcarbamimidothioate Traditional Name: 1-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-methyl-3-phenyl-isothiourea Formula: C15H14BrN3OS MolecularWeight: 364.26016

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=CC=C1)NNC=C2C=C(C=CC2=O)Br

Isomeric SMILES

CSC(=NC1=CC=CC=C1)NNC=C2C=C(C=CC2=O)Br

InChI

InChI=1S/C15H14BrN3OS/c1-21-15(18-13-5-3-2-4-6-13)19-17-10-11-9-12(16)7-8-14(11)20/h2-10,17H,1H3,(H,18,19)