3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]propyl N-methyl-N-oxidanyl-carbamodithioate

Systemtic Name: 3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]propyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)isoxazol-5-yl]propyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)-5-isoxazolyl]propyl ester IUPAC Name: 3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]propyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid 3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)isoxazol-5-yl]propyl ester Formula: C20H20ClN3O4S3 MolecularWeight: 498.0385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)SCCCC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N)O

Isomeric SMILES

CN(C(=S)SCCCC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N)O

InChI

InChI=1S/C20H20ClN3O4S3/c1-24(25)20(29)30-12-2-3-17-18(13-6-10-16(11-7-13)31(22,26)27)19(23-28-17)14-4-8-15(21)9-5-14/h4-11,25H,2-3,12H2,1H3,(H2,22,26,27)