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

Systemtic Name: [5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: [5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)oxazol-2-yl]methyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid [5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)-2-oxazolyl]methyl ester IUPAC Name: [5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid [5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)oxazol-2-yl]methyl ester Formula: C18H16ClN3O4S3 MolecularWeight: 469.98534

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)SCC1=NC(=C(O1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N)O

Isomeric SMILES

CN(C(=S)SCC1=NC(=C(O1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N)O

InChI

InChI=1S/C18H16ClN3O4S3/c1-22(23)18(27)28-10-15-21-16(11-4-8-14(9-5-11)29(20,24)25)17(26-15)12-2-6-13(19)7-3-12/h2-9,23H,10H2,1H3,(H2,20,24,25)