3-[3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]propyl N-methyl-N-oxidanyl-carbamodithioate

Systemtic Name: 3-[3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]propyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)-2-furyl]propyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)-2-furanyl]propyl ester IUPAC Name: 3-[3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]propyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid 3-[3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)-2-furyl]propyl ester Formula: C21H21FN2O4S3 MolecularWeight: 480.595843

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)SCCCC1=C(C(=CO1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)F)O

Isomeric SMILES

CN(C(=S)SCCCC1=C(C(=CO1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C21H21FN2O4S3/c1-24(25)21(29)30-12-2-3-19-20(15-4-8-16(22)9-5-15)18(13-28-19)14-6-10-17(11-7-14)31(23,26)27/h4-11,13,25H,2-3,12H2,1H3,(H2,23,26,27)