methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methylphenyl)sulfonyl-carbamimidothioate

Systemtic Name: methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methylphenyl)sulfonyl-carbamimidothioate Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-(p-tolylsulfonyl)isothiourea CAS Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methylphenyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate Traditional Name: 3-homoveratryl-2-methyl-1-tosyl-isothiourea Formula: C19H24N2O4S2 MolecularWeight: 408.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC2=CC(=C(C=C2)OC)OC)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC2=CC(=C(C=C2)OC)OC)SC

InChI

InChI=1S/C19H24N2O4S2/c1-14-5-8-16(9-6-14)27(22,23)21-19(26-4)20-12-11-15-7-10-17(24-2)18(13-15)25-3/h5-10,13H,11-12H2,1-4H3,(H,20,21)