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

Systemtic Name: (2-methylphenyl)methyl N'-(4-methoxyphenyl)carbamimidothioate Openeye Name: 3-(4-methoxyphenyl)-2-(o-tolylmethyl)isothiourea CAS Name: N'-(4-methoxyphenyl)carbamimidothioic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl N'-(4-methoxyphenyl)carbamimidothioate Traditional Name: 3-(4-methoxyphenyl)-2-(2-methylbenzyl)isothiourea Formula: C16H18N2OS MolecularWeight: 286.39192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC(=NC2=CC=C(C=C2)OC)N

Isomeric SMILES

CC1=CC=CC=C1CSC(=NC2=CC=C(C=C2)OC)N

InChI

InChI=1S/C16H18N2OS/c1-12-5-3-4-6-13(12)11-20-16(17)18-14-7-9-15(19-2)10-8-14/h3-10H,11H2,1-2H3,(H2,17,18)