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

Systemtic Name: [3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 4-propylbenzoate Openeye Name: [3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 4-propylbenzoate CAS Name: 4-propylbenzoic acid [3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 4-propylbenzoate Traditional Name: 4-propylbenzoic acid [3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCC4)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCC4)C

InChI

InChI=1S/C21H26N4O3S/c1-3-5-14-8-10-16(11-9-14)19(26)28-17-12-13-24(2)21(27)25(17)20-23-22-18(29-20)15-6-4-7-15/h8-11,15,17H,3-7,12-13H2,1-2H3