3-[5-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-sulfamoylphenyl)furan-2-yl]propyl N-methyl-N-oxidanyl-carbamodithioate

Systemtic Name: 3-[5-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-sulfamoylphenyl)furan-2-yl]propyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[5-(3-chloro-4-fluoro-phenyl)-4-(4-sulfamoylphenyl)-2-furyl]propyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-2-furanyl]propyl ester IUPAC Name: 3-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]propyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid 3-[5-(3-chloro-4-fluoro-phenyl)-4-(4-sulfamoylphenyl)-2-furyl]propyl ester Formula: C21H20ClFN2O4S3 MolecularWeight: 515.040903

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)SCCCC1=CC(=C(O1)C2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)S(=O)(=O)N)O

Isomeric SMILES

CN(C(=S)SCCCC1=CC(=C(O1)C2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)S(=O)(=O)N)O

InChI

InChI=1S/C21H20ClFN2O4S3/c1-25(26)21(30)31-10-2-3-15-12-17(13-4-7-16(8-5-13)32(24,27)28)20(29-15)14-6-9-19(23)18(22)11-14/h4-9,11-12,26H,2-3,10H2,1H3,(H2,24,27,28)