(2-methylphenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate

Systemtic Name: (2-methylphenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Openeye Name: 3-(2,5-dimethylphenyl)-2-(o-tolylmethyl)isothiourea CAS Name: N'-(2,5-dimethylphenyl)carbamimidothioic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Traditional Name: 3-(2,5-dimethylphenyl)-2-(2-methylbenzyl)isothiourea Formula: C17H20N2S MolecularWeight: 284.4191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N=C(N)SCC2=CC=CC=C2C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N=C(N)SCC2=CC=CC=C2C

InChI

InChI=1S/C17H20N2S/c1-12-8-9-14(3)16(10-12)19-17(18)20-11-15-7-5-4-6-13(15)2/h4-10H,11H2,1-3H3,(H2,18,19)