bis(4-fluorophenyl)methyl N'-phenethylcarbamimidothioate

Systemtic Name: bis(4-fluorophenyl)methyl N'-phenethylcarbamimidothioate Openeye Name: 2-[bis(4-fluorophenyl)methyl]-3-phenethyl-isothiourea CAS Name: N'-phenethylcarbamimidothioic acid bis(4-fluorophenyl)methyl ester IUPAC Name: bis(4-fluorophenyl)methyl N'-phenethylcarbamimidothioate Traditional Name: 2-[bis(4-fluorophenyl)methyl]-3-phenethyl-isothiourea Formula: C22H20F2N2S MolecularWeight: 382.469406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20F2N2S/c23-19-10-6-17(7-11-19)21(18-8-12-20(24)13-9-18)27-22(25)26-15-14-16-4-2-1-3-5-16/h1-13,21H,14-15H2,(H2,25,26)