methyl N'-(2-tert-butylsulfanylethyl)-N-(phenylsulfonyl)carbamimidothioate

Systemtic Name: methyl N'-(2-tert-butylsulfanylethyl)-N-(phenylsulfonyl)carbamimidothioate Openeye Name: 1-(benzenesulfonyl)-3-(2-tert-butylsulfanylethyl)-2-methyl-isothiourea CAS Name: N-(benzenesulfonyl)-N'-[2-(tert-butylthio)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-(benzenesulfonyl)-N'-(2-tert-butylsulfanylethyl)carbamimidothioate Traditional Name: 1-besyl-3-[2-(tert-butylthio)ethyl]-2-methyl-isothiourea Formula: C14H22N2O2S3 MolecularWeight: 346.53168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCN=C(NS(=O)(=O)C1=CC=CC=C1)SC

Isomeric SMILES

CC(C)(C)SCCN=C(NS(=O)(=O)C1=CC=CC=C1)SC

InChI

InChI=1S/C14H22N2O2S3/c1-14(2,3)20-11-10-15-13(19-4)16-21(17,18)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,15,16)