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

Systemtic Name: methyl N-(4-methoxyphenyl)-N'-(4-methylphenyl)sulfonyl-carbamimidothioate Openeye Name: 1-(4-methoxyphenyl)-2-methyl-3-(p-tolylsulfonyl)isothiourea CAS Name: N-(4-methoxyphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-methoxyphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidothioate Traditional Name: 1-(4-methoxyphenyl)-2-methyl-3-tosyl-isothiourea Formula: C16H18N2O3S2 MolecularWeight: 350.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=CC=C(C=C2)OC)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=CC=C(C=C2)OC)SC

InChI

InChI=1S/C16H18N2O3S2/c1-12-4-10-15(11-5-12)23(19,20)18-16(22-3)17-13-6-8-14(21-2)9-7-13/h4-11H,1-3H3,(H,17,18)