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

Systemtic Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 4-hexylbenzoate Openeye Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCCCC4)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCCCC4)C

InChI

InChI=1S/C26H36N4O3S/c1-3-4-5-7-10-19-13-15-21(16-14-19)24(31)33-22-17-18-29(2)26(32)30(22)25-28-27-23(34-25)20-11-8-6-9-12-20/h13-16,20,22H,3-12,17-18H2,1-2H3