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

Systemtic Name: O-[3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 3-propylbenzenecarbothioate Openeye Name: O-[3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 3-propylbenzenecarbothioate CAS Name: 3-propylbenzenecarbothioic acid O-[3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: O-[3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 3-propylbenzenecarbothioate Traditional Name: 3-propylthiobenzoic acid O-[3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C22H28N4O2S2 MolecularWeight: 444.61332

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1)C(=S)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCCC4)C

Isomeric SMILES

CCCC1=CC=CC(=C1)C(=S)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCCC4)C

InChI

InChI=1S/C22H28N4O2S2/c1-3-7-15-8-6-11-17(14-15)20(29)28-18-12-13-25(2)22(27)26(18)21-24-23-19(30-21)16-9-4-5-10-16/h6,8,11,14,16,18H,3-5,7,9-10,12-13H2,1-2H3