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

Systemtic Name: 3-[3-phenyl-4-(4-sulfamoylphenyl)thiophen-2-yl]propyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[3-phenyl-4-(4-sulfamoylphenyl)-2-thienyl]propyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[3-phenyl-4-(4-sulfamoylphenyl)-2-thiophenyl]propyl ester IUPAC Name: 3-[3-phenyl-4-(4-sulfamoylphenyl)thiophen-2-yl]propyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid 3-[3-phenyl-4-(4-sulfamoylphenyl)-2-thienyl]propyl ester Formula: C21H22N2O3S4 MolecularWeight: 478.67098

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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=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S4/c1-23(24)21(27)28-13-5-8-19-20(16-6-3-2-4-7-16)18(14-29-19)15-9-11-17(12-10-15)30(22,25)26/h2-4,6-7,9-12,14,24H,5,8,13H2,1H3,(H2,22,25,26)