methyl N'-(phenylmethyl)-N-thiophen-2-ylsulfonyl-carbamimidothioate

Systemtic Name: methyl N'-(phenylmethyl)-N-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 3-benzyl-2-methyl-1-(2-thienylsulfonyl)isothiourea CAS Name: N'-(phenylmethyl)-N-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-benzyl-N-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 3-benzyl-2-methyl-1-(2-thienylsulfonyl)isothiourea Formula: C13H14N2O2S3 MolecularWeight: 326.45746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2S3/c1-18-13(14-10-11-6-3-2-4-7-11)15-20(16,17)12-8-5-9-19-12/h2-9H,10H2,1H3,(H,14,15)