methyl N'-butyl-N-(2-methylphenyl)sulfonyl-carbamimidothioate

Systemtic Name: methyl N'-butyl-N-(2-methylphenyl)sulfonyl-carbamimidothioate Openeye Name: 3-butyl-2-methyl-1-(o-tolylsulfonyl)isothiourea CAS Name: N'-butyl-N-(2-methylphenyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-butyl-N-(2-methylphenyl)sulfonylcarbamimidothioate Traditional Name: 3-butyl-2-methyl-1-(o-tolylsulfonyl)isothiourea Formula: C13H20N2O2S2 MolecularWeight: 300.4401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(NS(=O)(=O)C1=CC=CC=C1C)SC

Isomeric SMILES

CCCCN=C(NS(=O)(=O)C1=CC=CC=C1C)SC

InChI

InChI=1S/C13H20N2O2S2/c1-4-5-10-14-13(18-3)15-19(16,17)12-9-7-6-8-11(12)2/h6-9H,4-5,10H2,1-3H3,(H,14,15)