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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=CC=C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=CC=C2)SC

InChI

InChI=1S/C16H18N2O2S2/c1-13-8-10-15(11-9-13)22(19,20)18-16(21-2)17-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,17,18)