[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] (phenylmethylsulfanyl)methanoate

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] (phenylmethylsulfanyl)methanoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] benzylsulfanylformate CAS Name: (phenylmethylthio)formic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] benzylsulfanylformate Traditional Name: (benzylthio)formic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C19H24N4O3S2 MolecularWeight: 420.54886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)SCC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3S2/c1-19(2,3)15-20-21-16(28-15)23-14(10-11-22(4)17(23)24)26-18(25)27-12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3