3-[3-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]propyl N-methyl-N-oxidanyl-carbamodithioate

Systemtic Name: 3-[3-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]propyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[3-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-thienyl]propyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[3-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-thiophenyl]propyl ester IUPAC Name: 3-[3-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]propyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid 3-[3-(4-chlorophenyl)-4-(4-mesylphenyl)-2-thienyl]propyl ester Formula: C22H22ClNO3S4 MolecularWeight: 512.12798

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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)C)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO3S4/c1-24(25)22(28)29-13-3-4-20-21(16-5-9-17(23)10-6-16)19(14-30-20)15-7-11-18(12-8-15)31(2,26)27/h5-12,14,25H,3-4,13H2,1-2H3