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

Systemtic Name: [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 4-butylbenzoate Openeye Name: [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCCC4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCCC4)C

InChI

InChI=1S/C23H30N4O3S/c1-3-4-7-16-10-12-18(13-11-16)21(28)30-19-14-15-26(2)23(29)27(19)22-25-24-20(31-22)17-8-5-6-9-17/h10-13,17,19H,3-9,14-15H2,1-2H3