(diphenylmethyl) N'-(2,5-dimethylphenyl)carbamimidothioate

Systemtic Name: (diphenylmethyl) N'-(2,5-dimethylphenyl)carbamimidothioate Openeye Name: 2-benzhydryl-3-(2,5-dimethylphenyl)isothiourea CAS Name: N'-(2,5-dimethylphenyl)carbamimidothioic acid (diphenylmethyl) ester IUPAC Name: benzhydryl N'-(2,5-dimethylphenyl)carbamimidothioate Traditional Name: 2-benzhydryl-3-(2,5-dimethylphenyl)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)SC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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