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

Systemtic Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] benzoate Openeye Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] benzoate CAS Name: benzoic acid [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] benzoate Traditional Name: benzoic acid [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(N(C1=O)C2=NN=C(S2)C3CCCCC3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1CCC(N(C1=O)C2=NN=C(S2)C3CCCCC3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H24N4O3S/c1-23-13-12-16(27-18(25)15-10-6-3-7-11-15)24(20(23)26)19-22-21-17(28-19)14-8-4-2-5-9-14/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13H2,1H3