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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F2N2S/c22-18-10-6-16(7-11-18)20(17-8-12-19(23)13-9-17)26-21(24)25-14-15-4-2-1-3-5-15/h1-13,20H,14H2,(H2,24,25)