[1-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxidanylidene-1,3-diazinan-4-yl] (2-butoxyphenyl)sulfanylmethanoate

Systemtic Name: [1-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxidanylidene-1,3-diazinan-4-yl] (2-butoxyphenyl)sulfanylmethanoate Openeye Name: [1-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxo-hexahydropyrimidin-4-yl] (2-butoxyphenyl)sulfanylformate CAS Name: [(2-butoxyphenyl)thio]formic acid [1-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [1-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxo-1,3-diazinan-4-yl] (2-butoxyphenyl)sulfanylformate Traditional Name: [(2-butoxyphenyl)thio]formic acid [1-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-2-keto-3-methyl-hexahydropyrimidin-4-yl] ester Formula: C25H34N4O4S2 MolecularWeight: 518.69186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1SC(=O)OC2CCN(C(=O)N2C)C3=NN=C(S3)C4CCCCCC4

Isomeric SMILES

CCCCOC1=CC=CC=C1SC(=O)OC2CCN(C(=O)N2C)C3=NN=C(S3)C4CCCCCC4

InChI

InChI=1S/C25H34N4O4S2/c1-3-4-17-32-19-13-9-10-14-20(19)34-25(31)33-21-15-16-29(24(30)28(21)2)23-27-26-22(35-23)18-11-7-5-6-8-12-18/h9-10,13-14,18,21H,3-8,11-12,15-17H2,1-2H3