methyl N-(4-bromanyl-2-fluoranyl-phenyl)-N'-thiophen-2-ylsulfonyl-carbamimidothioate

Systemtic Name: methyl N-(4-bromanyl-2-fluoranyl-phenyl)-N'-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 1-(4-bromo-2-fluoro-phenyl)-2-methyl-3-(2-thienylsulfonyl)isothiourea CAS Name: N-(4-bromo-2-fluorophenyl)-N'-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-bromo-2-fluorophenyl)-N'-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 1-(4-bromo-2-fluoro-phenyl)-2-methyl-3-(2-thienylsulfonyl)isothiourea Formula: C12H10BrFN2O2S3 MolecularWeight: 409.317403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10BrFN2O2S3/c1-19-12(15-10-5-4-8(13)7-9(10)14)16-21(17,18)11-3-2-6-20-11/h2-7H,1H3,(H,15,16)