(4-phenylphenyl)methyl N'-(3,5-dimethylphenyl)carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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