bis(4-fluorophenyl)methyl N'-(4-methoxyphenyl)carbamimidothioate

Systemtic Name: bis(4-fluorophenyl)methyl N'-(4-methoxyphenyl)carbamimidothioate Openeye Name: 2-[bis(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)isothiourea CAS Name: N'-(4-methoxyphenyl)carbamimidothioic acid bis(4-fluorophenyl)methyl ester IUPAC Name: bis(4-fluorophenyl)methyl N'-(4-methoxyphenyl)carbamimidothioate Traditional Name: 2-[bis(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)isothiourea Formula: C21H18F2N2OS MolecularWeight: 384.442226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C(N)SC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)N=C(N)SC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H18F2N2OS/c1-26-19-12-10-18(11-13-19)25-21(24)27-20(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-13,20H,1H3,(H2,24,25)