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

Systemtic Name: [4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl] N-butyl-N-oxidanyl-carbamodithioate Openeye Name: [4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)oxazol-2-yl] N-butyl-N-hydroxy-carbamodithioate CAS Name: N-butyl-N-hydroxycarbamodithioic acid [4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-2-oxazolyl] ester IUPAC Name: [4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl] N-butyl-N-hydroxycarbamodithioate Traditional Name: N-butyl-N-hydroxy-carbamodithioic acid [4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)oxazol-2-yl] ester Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S3/c1-3-4-13-24(25)21(30)31-20-23-18(14-5-9-16(28-2)10-6-14)19(29-20)15-7-11-17(12-8-15)32(22,26)27/h5-12,25H,3-4,13H2,1-2H3,(H2,22,26,27)