(diphenylmethyl) N'-[2-(trifluoromethyl)phenyl]carbamimidothioate

Systemtic Name: (diphenylmethyl) N'-[2-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 2-benzhydryl-3-[2-(trifluoromethyl)phenyl]isothiourea CAS Name: N'-[2-(trifluoromethyl)phenyl]carbamimidothioic acid (diphenylmethyl) ester IUPAC Name: benzhydryl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 2-benzhydryl-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)C(C2=CC=CC=C2)SC(=NC3=CC=CC=C3C(F)(F)F)N

Isomeric SMILES

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

InChI

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