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

Systemtic Name: [5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl] N-butyl-N-oxidanyl-carbamodithioate Openeye Name: [5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)oxazol-2-yl] N-butyl-N-hydroxy-carbamodithioate CAS Name: N-butyl-N-hydroxycarbamodithioic acid [5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)-2-oxazolyl] ester IUPAC Name: [5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl] N-butyl-N-hydroxycarbamodithioate Traditional Name: N-butyl-N-hydroxy-carbamodithioic acid [5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)oxazol-2-yl] ester Formula: C20H20ClN3O4S3 MolecularWeight: 498.0385

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=S)SC1=NC(=C(O1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N)O

Isomeric SMILES

CCCCN(C(=S)SC1=NC(=C(O1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N)O

InChI

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