(phenylmethyl) 2-sulfanylidene-1,3-diazinane-1-carboxylate

Systemtic Name: (phenylmethyl) 2-sulfanylidene-1,3-diazinane-1-carboxylate Openeye Name: benzyl 2-thioxohexahydropyrimidine-1-carboxylate CAS Name: 2-sulfanylidene-1,3-diazinane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-sulfanylidene-1,3-diazinane-1-carboxylate Traditional Name: 2-thioxohexahydropyrimidine-1-carboxylic acid benzyl ester Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=S)N(C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CNC(=S)N(C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H14N2O2S/c15-12(14-8-4-7-13-11(14)17)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,17)