bis(4-fluorophenyl)methyl N'-(3-methylphenyl)carbamimidothioate

Systemtic Name: bis(4-fluorophenyl)methyl N'-(3-methylphenyl)carbamimidothioate Openeye Name: 2-[bis(4-fluorophenyl)methyl]-3-(m-tolyl)isothiourea CAS Name: N'-(3-methylphenyl)carbamimidothioic acid bis(4-fluorophenyl)methyl ester IUPAC Name: bis(4-fluorophenyl)methyl N'-(3-methylphenyl)carbamimidothioate Traditional Name: 2-[bis(4-fluorophenyl)methyl]-3-(m-tolyl)isothiourea Formula: C21H18F2N2S MolecularWeight: 368.442826

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F2N2S/c1-14-3-2-4-19(13-14)25-21(24)26-20(15-5-9-17(22)10-6-15)16-7-11-18(23)12-8-16/h2-13,20H,1H3,(H2,24,25)