S-[[2,5-bis(oxidanylidene)-4-(phenylcarbonylsulfanylmethyl)imidazolidin-4-yl]methyl] benzenecarbothioate

Systemtic Name: S-[[2,5-bis(oxidanylidene)-4-(phenylcarbonylsulfanylmethyl)imidazolidin-4-yl]methyl] benzenecarbothioate Openeye Name: S-[[4-(benzoylsulfanylmethyl)-2,5-dioxo-imidazolidin-4-yl]methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[[4-[(benzoylthio)methyl]-2,5-dioxo-4-imidazolidinyl]methyl] ester IUPAC Name: S-[[4-(benzoylsulfanylmethyl)-2,5-dioxoimidazolidin-4-yl]methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[[4-[(benzoylthio)methyl]-2,5-diketo-imidazolidin-4-yl]methyl] ester Formula: C19H16N2O4S2 MolecularWeight: 400.47134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC2(C(=O)NC(=O)N2)CSC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC2(C(=O)NC(=O)N2)CSC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H16N2O4S2/c22-15(13-7-3-1-4-8-13)26-11-19(17(24)20-18(25)21-19)12-27-16(23)14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,20,21,24,25)