(4-phenylphenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate

Systemtic Name: (4-phenylphenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Openeye Name: 3-(2,5-dimethylphenyl)-2-[(4-phenylphenyl)methyl]isothiourea CAS Name: N'-(2,5-dimethylphenyl)carbamimidothioic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Traditional Name: 3-(2,5-dimethylphenyl)-2-(4-phenylbenzyl)isothiourea Formula: C22H22N2S MolecularWeight: 346.48848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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