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

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] (4-chlorophenyl)sulfanylmethanoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] (4-chlorophenyl)sulfanylformate CAS Name: [(4-chlorophenyl)thio]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] (4-chlorophenyl)sulfanylformate Traditional Name: [(4-chlorophenyl)thio]formic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C18H21ClN4O3S2 MolecularWeight: 440.96734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN4O3S2/c1-18(2,3)14-20-21-15(28-14)23-13(9-10-22(4)16(23)24)26-17(25)27-12-7-5-11(19)6-8-12/h5-8,13H,9-10H2,1-4H3