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

Systemtic Name: [3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 4-butylbenzoate Openeye Name: [3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [3-(5-butoxy-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)OCCCC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)OCCCC)C

InChI

InChI=1S/C22H30N4O4S/c1-4-6-8-16-9-11-17(12-10-16)19(27)30-18-13-14-25(3)22(28)26(18)20-23-24-21(31-20)29-15-7-5-2/h9-12,18H,4-8,13-15H2,1-3H3