[3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] cycloheptylsulfanylmethanoate

Systemtic Name: [3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] cycloheptylsulfanylmethanoate Openeye Name: [3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] cycloheptylsulfanylformate CAS Name: (cycloheptylthio)formic acid [3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] cycloheptylsulfanylformate Traditional Name: (cycloheptylthio)formic acid [3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C19H30N4O5S3 MolecularWeight: 490.6603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)SC3CCCCCC3

Isomeric SMILES

CCCCS(=O)(=O)C1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)SC3CCCCCC3

InChI

InChI=1S/C19H30N4O5S3/c1-3-4-13-31(26,27)17-21-20-16(30-17)23-15(11-12-22(2)18(23)24)28-19(25)29-14-9-7-5-6-8-10-14/h14-15H,3-13H2,1-2H3