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

Systemtic Name: methyl N-(4-methylphenyl)-N'-(4-methylphenyl)sulfonyl-carbamimidothioate Openeye Name: 2-methyl-1-(p-tolyl)-3-(p-tolylsulfonyl)isothiourea CAS Name: N-(4-methylphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-methylphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidothioate Traditional Name: 2-methyl-1-(p-tolyl)-3-tosyl-isothiourea Formula: C16H18N2O2S2 MolecularWeight: 334.45632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=NS(=O)(=O)C2=CC=C(C=C2)C)SC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=NS(=O)(=O)C2=CC=C(C=C2)C)SC

InChI

InChI=1S/C16H18N2O2S2/c1-12-4-8-14(9-5-12)17-16(21-3)18-22(19,20)15-10-6-13(2)7-11-15/h4-11H,1-3H3,(H,17,18)