methyl N'-[(4-methylphenyl)methyl]-N-phenyl-carbamimidothioate

Systemtic Name: methyl N'-[(4-methylphenyl)methyl]-N-phenyl-carbamimidothioate Openeye Name: 2-methyl-1-phenyl-3-(p-tolylmethyl)isothiourea CAS Name: N'-[(4-methylphenyl)methyl]-N-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(4-methylphenyl)methyl]-N-phenylcarbamimidothioate Traditional Name: 2-methyl-3-(4-methylbenzyl)-1-phenyl-isothiourea Formula: C16H18N2S MolecularWeight: 270.39252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN=C(NC2=CC=CC=C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)CN=C(NC2=CC=CC=C2)SC

InChI

InChI=1S/C16H18N2S/c1-13-8-10-14(11-9-13)12-17-16(19-2)18-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,17,18)