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

Systemtic Name: O-[3-[5-(bromomethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 4-methylbenzenecarbothioate Openeye Name: O-[3-[5-(bromomethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid O-[3-[5-(bromomethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: O-[3-[5-(bromomethyl)-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-(bromomethyl)-1,3,4-thiadiazol-2-yl]-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C16H17BrN4O2S2 MolecularWeight: 441.36578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4O2S2/c1-10-3-5-11(6-4-10)14(24)23-13-7-8-20(2)16(22)21(13)15-19-18-12(9-17)25-15/h3-6,13H,7-9H2,1-2H3