[3-(5-hexoxy-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 2-hexan-3-ylbenzoate

Systemtic Name: [3-(5-hexoxy-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 2-hexan-3-ylbenzoate Openeye Name: [3-(5-hexoxy-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 2-(1-ethylbutyl)benzoate CAS Name: 2-hexan-3-ylbenzoic acid [3-(5-hexoxy-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-hexoxy-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 2-hexan-3-ylbenzoate Traditional Name: 2-(1-ethylbutyl)benzoic acid [3-(5-hexoxy-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C26H38N4O4S MolecularWeight: 502.66932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)C3=CC=CC=C3C(CC)CCC

Isomeric SMILES

CCCCCCOC1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)C3=CC=CC=C3C(CC)CCC

InChI

InChI=1S/C26H38N4O4S/c1-5-8-9-12-18-33-25-28-27-24(35-25)30-22(16-17-29(4)26(30)32)34-23(31)21-15-11-10-14-20(21)19(7-3)13-6-2/h10-11,14-15,19,22H,5-9,12-13,16-18H2,1-4H3