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

Systemtic Name: bis(4-fluorophenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Openeye Name: 2-[bis(4-fluorophenyl)methyl]-3-(2,5-dimethylphenyl)isothiourea CAS Name: N'-(2,5-dimethylphenyl)carbamimidothioic acid bis(4-fluorophenyl)methyl ester IUPAC Name: bis(4-fluorophenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Traditional Name: 2-[bis(4-fluorophenyl)methyl]-3-(2,5-dimethylphenyl)isothiourea Formula: C22H20F2N2S MolecularWeight: 382.469406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20F2N2S/c1-14-3-4-15(2)20(13-14)26-22(25)27-21(16-5-9-18(23)10-6-16)17-7-11-19(24)12-8-17/h3-13,21H,1-2H3,(H2,25,26)