(4-phenylphenyl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate

Systemtic Name: (4-phenylphenyl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 2-[(4-phenylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]isothiourea CAS Name: N'-[2-(trifluoromethyl)phenyl]carbamimidothioic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 2-(4-phenylbenzyl)-3-[2-(trifluoromethyl)phenyl]isothiourea Formula: C21H17F3N2S MolecularWeight: 386.43329

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CSC(=NC3=CC=CC=C3C(F)(F)F)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CSC(=NC3=CC=CC=C3C(F)(F)F)N

InChI

InChI=1S/C21H17F3N2S/c22-21(23,24)18-8-4-5-9-19(18)26-20(25)27-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-13H,14H2,(H2,25,26)