S-[(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)-(phenylcarbonylsulfanyl)methyl] benzenecarbothioate

Systemtic Name: S-[(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)-(phenylcarbonylsulfanyl)methyl] benzenecarbothioate Openeye Name: S-[benzoylsulfanyl-(5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(benzoylthio)-(5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl] ester IUPAC Name: S-[benzoylsulfanyl-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(benzoylthio)-(5-keto-2-thioxo-imidazolidin-4-ylidene)methyl] ester Formula: C18H12N2O3S3 MolecularWeight: 400.49448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SC(=C2C(=O)NC(=S)N2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SC(=C2C(=O)NC(=S)N2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H12N2O3S3/c21-14-13(19-18(24)20-14)17(25-15(22)11-7-3-1-4-8-11)26-16(23)12-9-5-2-6-10-12/h1-10H,(H2,19,20,21,24)