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

Systemtic Name: [4-(3-chloranyl-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl] N-butyl-N-oxidanyl-carbamodithioate Openeye Name: [4-(3-chloro-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)oxazol-2-yl] N-butyl-N-hydroxy-carbamodithioate CAS Name: N-butyl-N-hydroxycarbamodithioic acid [4-(3-chloro-4-methoxyphenyl)-5-(4-sulfamoylphenyl)-2-oxazolyl] ester IUPAC Name: [4-(3-chloro-4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl] N-butyl-N-hydroxycarbamodithioate Traditional Name: N-butyl-N-hydroxy-carbamodithioic acid [4-(3-chloro-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)oxazol-2-yl] ester Formula: C21H22ClN3O5S3 MolecularWeight: 528.06448

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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)Cl)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)Cl)O

InChI

InChI=1S/C21H22ClN3O5S3/c1-3-4-11-25(26)21(31)32-20-24-18(14-7-10-17(29-2)16(22)12-14)19(30-20)13-5-8-15(9-6-13)33(23,27)28/h5-10,12,26H,3-4,11H2,1-2H3,(H2,23,27,28)