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

Systemtic Name: O-[3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 3-hexylbenzenecarbothioate Openeye Name: O-[3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 3-hexylbenzenecarbothioate CAS Name: 3-hexylbenzenecarbothioic acid O-[3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: O-[3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 3-hexylbenzenecarbothioate Traditional Name: 3-hexylthiobenzoic acid O-[3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C26H36N4O2S2 MolecularWeight: 500.71964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC(=C1)C(=S)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCCCC4)C

Isomeric SMILES

CCCCCCC1=CC=CC(=C1)C(=S)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCCCC4)C

InChI

InChI=1S/C26H36N4O2S2/c1-3-4-5-7-11-19-12-10-15-21(18-19)24(33)32-22-16-17-29(2)26(31)30(22)25-28-27-23(34-25)20-13-8-6-9-14-20/h10,12,15,18,20,22H,3-9,11,13-14,16-17H2,1-2H3