methyl N-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]-N'-thiophen-2-ylsulfonyl-carbamimidothioate

Systemtic Name: methyl N-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]-N'-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(2-thienylsulfonyl)isothiourea CAS Name: N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-N'-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-N'-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(2-thienylsulfonyl)isothiourea Formula: C14H16ClN3O4S4 MolecularWeight: 454.00754

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=NS(=O)(=O)C2=CC=CS2)SC)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)N/C(=N/S(=O)(=O)C2=CC=CS2)/SC)Cl

InChI

InChI=1S/C14H16ClN3O4S4/c1-18(2)26(21,22)12-9-10(6-7-11(12)15)16-14(23-3)17-25(19,20)13-5-4-8-24-13/h4-9H,1-3H3,(H,16,17)