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

Systemtic Name: O-[3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 4-ethylbenzenecarbothioate Openeye Name: O-[3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 4-ethylbenzenecarbothioate CAS Name: 4-ethylbenzenecarbothioic acid O-[3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: O-[3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 4-ethylbenzenecarbothioate Traditional Name: 4-ethylthiobenzoic acid O-[3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C20H24N4O2S2 MolecularWeight: 416.56016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=S)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCC4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=S)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCC4)C

InChI

InChI=1S/C20H24N4O2S2/c1-3-13-7-9-15(10-8-13)18(27)26-16-11-12-23(2)20(25)24(16)19-22-21-17(28-19)14-5-4-6-14/h7-10,14,16H,3-6,11-12H2,1-2H3