methyl N-(4-chlorophenyl)-N'-thiophen-2-ylsulfonyl-carbamimidothioate

Systemtic Name: methyl N-(4-chlorophenyl)-N'-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 1-(4-chlorophenyl)-2-methyl-3-(2-thienylsulfonyl)isothiourea CAS Name: N-(4-chlorophenyl)-N'-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-chlorophenyl)-N'-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 1-(4-chlorophenyl)-2-methyl-3-(2-thienylsulfonyl)isothiourea Formula: C12H11ClN2O2S3 MolecularWeight: 346.87594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=CS1)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC=CS1)/NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H11ClN2O2S3/c1-18-12(14-10-6-4-9(13)5-7-10)15-20(16,17)11-3-2-8-19-11/h2-8H,1H3,(H,14,15)