methyl N'-[(4-fluorophenyl)methyl]-N-thiophen-2-ylsulfonyl-carbamimidothioate

Systemtic Name: methyl N'-[(4-fluorophenyl)methyl]-N-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 3-[(4-fluorophenyl)methyl]-2-methyl-1-(2-thienylsulfonyl)isothiourea CAS Name: N'-[(4-fluorophenyl)methyl]-N-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(4-fluorophenyl)methyl]-N-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 3-(4-fluorobenzyl)-2-methyl-1-(2-thienylsulfonyl)isothiourea Formula: C13H13FN2O2S3 MolecularWeight: 344.447923

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CC=C(C=C1)F)NS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CSC(=NCC1=CC=C(C=C1)F)NS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C13H13FN2O2S3/c1-19-13(15-9-10-4-6-11(14)7-5-10)16-21(17,18)12-3-2-8-20-12/h2-8H,9H2,1H3,(H,15,16)