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

Systemtic Name: [1-methyl-2-oxidanylidene-3-(5-propoxy-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] 4-propylbenzoate Openeye Name: [1-methyl-2-oxo-3-(5-propoxy-1,3,4-thiadiazol-2-yl)hexahydropyrimidin-4-yl] 4-propylbenzoate CAS Name: 4-propylbenzoic acid [1-methyl-2-oxo-3-(5-propoxy-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] ester IUPAC Name: [1-methyl-2-oxo-3-(5-propoxy-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] 4-propylbenzoate Traditional Name: 4-propylbenzoic acid [2-keto-1-methyl-3-(5-propoxy-1,3,4-thiadiazol-2-yl)hexahydropyrimidin-4-yl] ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)OCCC)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)OCCC)C

InChI

InChI=1S/C20H26N4O4S/c1-4-6-14-7-9-15(10-8-14)17(25)28-16-11-12-23(3)20(26)24(16)18-21-22-19(29-18)27-13-5-2/h7-10,16H,4-6,11-13H2,1-3H3