methyl N'-cyclohexyl-N-(4-methylphenyl)sulfonyl-carbamimidothioate

Systemtic Name: methyl N'-cyclohexyl-N-(4-methylphenyl)sulfonyl-carbamimidothioate Openeye Name: 3-cyclohexyl-2-methyl-1-(p-tolylsulfonyl)isothiourea CAS Name: N'-cyclohexyl-N-(4-methylphenyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-cyclohexyl-N-(4-methylphenyl)sulfonylcarbamimidothioate Traditional Name: 3-cyclohexyl-2-methyl-1-tosyl-isothiourea Formula: C15H22N2O2S2 MolecularWeight: 326.47738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NC2CCCCC2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NC2CCCCC2)SC

InChI

InChI=1S/C15H22N2O2S2/c1-12-8-10-14(11-9-12)21(18,19)17-15(20-2)16-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,16,17)