methyl N'-(4-chlorophenyl)sulfonylcarbamimidothioate

Systemtic Name: methyl N'-(4-chlorophenyl)sulfonylcarbamimidothioate Openeye Name: 3-(4-chlorophenyl)sulfonyl-2-methyl-isothiourea CAS Name: N'-(4-chlorophenyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-(4-chlorophenyl)sulfonylcarbamimidothioate Traditional Name: 3-(4-chlorophenyl)sulfonyl-2-methyl-isothiourea Formula: C8H9ClN2O2S2 MolecularWeight: 264.75226

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=C(C=C1)Cl)N

Isomeric SMILES

CS/C(=N/S(=O)(=O)C1=CC=C(C=C1)Cl)/N

InChI

InChI=1S/C8H9ClN2O2S2/c1-14-8(10)11-15(12,13)7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11)