O-[3-[5-(2-bromoethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 2-hexan-3-ylbenzenecarbothioate

Systemtic Name: O-[3-[5-(2-bromoethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 2-hexan-3-ylbenzenecarbothioate Openeye Name: O-[3-[5-(2-bromoethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 2-(1-ethylbutyl)benzenecarbothioate CAS Name: 2-hexan-3-ylbenzenecarbothioic acid O-[3-[5-(2-bromoethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: O-[3-[5-(2-bromoethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-1,3-diazinan-4-yl] 2-hexan-3-ylbenzenecarbothioate Traditional Name: 2-(1-ethylbutyl)thiobenzoic acid O-[3-[5-(2-bromoethyl)-1,3,4-thiadiazol-2-yl]-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C22H29BrN4O2S2 MolecularWeight: 525.52526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)C1=CC=CC=C1C(=S)OC2CCN(C(=O)N2C3=NN=C(S3)CCBr)C

Isomeric SMILES

CCCC(CC)C1=CC=CC=C1C(=S)OC2CCN(C(=O)N2C3=NN=C(S3)CCBr)C

InChI

InChI=1S/C22H29BrN4O2S2/c1-4-8-15(5-2)16-9-6-7-10-17(16)20(30)29-19-12-14-26(3)22(28)27(19)21-25-24-18(31-21)11-13-23/h6-7,9-10,15,19H,4-5,8,11-14H2,1-3H3