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

Systemtic Name: 3-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]propyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[3-(3-chloro-4-fluoro-phenyl)-4-(4-sulfamoylphenyl)-2-thienyl]propyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[3-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-2-thiophenyl]propyl ester IUPAC Name: 3-[3-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]propyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid 3-[3-(3-chloro-4-fluoro-phenyl)-4-(4-sulfamoylphenyl)-2-thienyl]propyl ester Formula: C21H20ClFN2O3S4 MolecularWeight: 531.106503

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)SCCCC1=C(C(=CS1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=C(C=C3)F)Cl)O

Isomeric SMILES

CN(C(=S)SCCCC1=C(C(=CS1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=C(C=C3)F)Cl)O

InChI

InChI=1S/C21H20ClFN2O3S4/c1-25(26)21(29)30-10-2-3-19-20(14-6-9-18(23)17(22)11-14)16(12-31-19)13-4-7-15(8-5-13)32(24,27)28/h4-9,11-12,26H,2-3,10H2,1H3,(H2,24,27,28)