(4-iodophenyl) [1-methyl-2-oxidanylidene-3-(5-pentylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] carbonate

Systemtic Name: (4-iodophenyl) [1-methyl-2-oxidanylidene-3-(5-pentylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] carbonate Openeye Name: (4-iodophenyl) [1-methyl-2-oxo-3-(5-pentylsulfonyl-1,3,4-thiadiazol-2-yl)hexahydropyrimidin-4-yl] carbonate CAS Name: carbonic acid (4-iodophenyl) [1-methyl-2-oxo-3-(5-pentylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] ester IUPAC Name: (4-iodophenyl) [1-methyl-2-oxo-3-(5-pentylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] carbonate Traditional Name: carbonic acid [3-(5-amylsulfonyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] (4-iodophenyl) ester Formula: C19H23IN4O6S2 MolecularWeight: 594.44359

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)C1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)OC3=CC=C(C=C3)I

Isomeric SMILES

CCCCCS(=O)(=O)C1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)OC3=CC=C(C=C3)I

InChI

InChI=1S/C19H23IN4O6S2/c1-3-4-5-12-32(27,28)17-22-21-16(31-17)24-15(10-11-23(2)18(24)25)30-19(26)29-14-8-6-13(20)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3