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

Systemtic Name: [3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 4-fluoranylbenzoate Openeye Name: [3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [3-[5-(hexylthio)-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [3-[5-(hexylthio)-1,3,4-thiadiazol-2-yl]-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C20H25FN4O3S2 MolecularWeight: 452.565903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCSC1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H25FN4O3S2/c1-3-4-5-6-13-29-19-23-22-18(30-19)25-16(11-12-24(2)20(25)27)28-17(26)14-7-9-15(21)10-8-14/h7-10,16H,3-6,11-13H2,1-2H3