S-[[2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl] benzenecarbothioate

Systemtic Name: S-[[2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl] benzenecarbothioate Openeye Name: S-[(2,4-dioxohexahydropyrimidin-5-yl)methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(2,4-dioxo-1,3-diazinan-5-yl)methyl] ester IUPAC Name: S-[(2,4-dioxo-1,3-diazinan-5-yl)methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2,4-diketohexahydropyrimidin-5-yl)methyl] ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC(=O)N1)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

C1C(C(=O)NC(=O)N1)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H12N2O3S/c15-10-9(6-13-12(17)14-10)7-18-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,14,15,17)