(4-phenylphenyl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate

Systemtic Name: (4-phenylphenyl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate Openeye Name: 3-(2,6-dimethylphenyl)-2-[(4-phenylphenyl)methyl]isothiourea CAS Name: N'-(2,6-dimethylphenyl)carbamimidothioic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate Traditional Name: 3-(2,6-dimethylphenyl)-2-(4-phenylbenzyl)isothiourea Formula: C22H22N2S MolecularWeight: 346.48848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N=C(N)SCC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)N=C(N)SCC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2S/c1-16-7-6-8-17(2)21(16)24-22(23)25-15-18-11-13-20(14-12-18)19-9-4-3-5-10-19/h3-14H,15H2,1-2H3,(H2,23,24)