methyl N,N'-bis[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]carbamimidothioate

Systemtic Name: methyl N,N'-bis[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]carbamimidothioate Openeye Name: 2-methyl-1,3-bis[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]isothiourea CAS Name: N,N'-bis[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]carbamimidothioic acid methyl ester IUPAC Name: methyl N,N'-bis[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamimidothioate Traditional Name: 1,3-bis[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]-2-methyl-isothiourea Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NNC=C1C=CC(=O)C=C1)NNC=C2C=CC(=O)C=C2

Isomeric SMILES

CS/C(=N\NC=C1C=CC(=O)C=C1)/NNC=C2C=CC(=O)C=C2

InChI

InChI=1S/C16H16N4O2S/c1-23-16(19-17-10-12-2-6-14(21)7-3-12)20-18-11-13-4-8-15(22)9-5-13/h2-11,17-18H,1H3,(H,19,20)