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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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