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

Systemtic Name: O-[3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 4-methylbenzenecarbothioate Openeye Name: O-[3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid O-[3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: O-[3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid O-[3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C18H20N4O2S2 MolecularWeight: 388.507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)OC2CCN(C(=O)N2C3=NN=C(S3)C4CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)OC2CCN(C(=O)N2C3=NN=C(S3)C4CC4)C

InChI

InChI=1S/C18H20N4O2S2/c1-11-3-5-13(6-4-11)16(25)24-14-9-10-21(2)18(23)22(14)17-20-19-15(26-17)12-7-8-12/h3-6,12,14H,7-10H2,1-2H3