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

Systemtic Name: [4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: [4-phenyl-5-(4-sulfamoylphenyl)oxazol-2-yl]methyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid [4-phenyl-5-(4-sulfamoylphenyl)-2-oxazolyl]methyl ester IUPAC Name: [4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid [4-phenyl-5-(4-sulfamoylphenyl)oxazol-2-yl]methyl ester Formula: C18H17N3O4S3 MolecularWeight: 435.54028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S3/c1-21(22)18(26)27-11-15-20-16(12-5-3-2-4-6-12)17(25-15)13-7-9-14(10-8-13)28(19,23)24/h2-10,22H,11H2,1H3,(H2,19,23,24)