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

Systemtic Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 3-propoxybenzoate Openeye Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 3-propoxybenzoate CAS Name: 3-propoxybenzoic 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] 3-propoxybenzoate Traditional Name: 3-propoxybenzoic acid [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCCCC4)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCCCC4)C

InChI

InChI=1S/C23H30N4O4S/c1-3-14-30-18-11-7-10-17(15-18)21(28)31-19-12-13-26(2)23(29)27(19)22-25-24-20(32-22)16-8-5-4-6-9-16/h7,10-11,15-16,19H,3-6,8-9,12-14H2,1-2H3