2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl N-[(4-phenylphenyl)carbonylamino]carbamate

Systemtic Name: 2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl N-[(4-phenylphenyl)carbonylamino]carbamate Openeye Name: 2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethyl N-[(4-phenylbenzoyl)amino]carbamate CAS Name: N-[[oxo-(4-phenylphenyl)methyl]amino]carbamic acid 2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethyl ester IUPAC Name: 2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl N-[(4-phenylbenzoyl)amino]carbamate Traditional Name: N-[(4-phenylbenzoyl)amino]carbamic acid 2-[[5-(trifluoromethyl)-2-pyridyl]thio]ethyl ester Formula: C22H18F3N3O3S MolecularWeight: 461.45683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NNC(=O)OCCSC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NNC(=O)OCCSC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C22H18F3N3O3S/c23-22(24,25)18-10-11-19(26-14-18)32-13-12-31-21(30)28-27-20(29)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,27,29)(H,28,30)