(2,5-dimethylphenyl)methyl N'-(3-methylphenyl)carbamimidothioate

Systemtic Name: (2,5-dimethylphenyl)methyl N'-(3-methylphenyl)carbamimidothioate Openeye Name: 2-[(2,5-dimethylphenyl)methyl]-3-(m-tolyl)isothiourea CAS Name: N'-(3-methylphenyl)carbamimidothioic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl N'-(3-methylphenyl)carbamimidothioate Traditional Name: 2-(2,5-dimethylbenzyl)-3-(m-tolyl)isothiourea Formula: C17H20N2S MolecularWeight: 284.4191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=C(N)SCC2=C(C=CC(=C2)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N=C(N)SCC2=C(C=CC(=C2)C)C

InChI

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