4-[1-azanyl-2-[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]ethyl]-N-pyridin-4-yl-benzamide

Systemtic Name: 4-[1-azanyl-2-[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]ethyl]-N-pyridin-4-yl-benzamide Openeye Name: 4-[1-amino-2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]ethyl]-N-(4-pyridyl)benzamide CAS Name: 4-[1-amino-2-[[sulfanylidene-[4-(trifluoromethoxy)anilino]methyl]amino]ethyl]-N-pyridin-4-ylbenzamide IUPAC Name: 4-[1-amino-2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]ethyl]-N-pyridin-4-ylbenzamide Traditional Name: 4-[1-amino-2-[[4-(trifluoromethoxy)phenyl]thiocarbamoylamino]ethyl]-N-(4-pyridyl)benzamide Formula: C22H20F3N5O2S MolecularWeight: 475.48671

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CNC(=S)NC2=CC=C(C=C2)OC(F)(F)F)N)C(=O)NC3=CC=NC=C3

Isomeric SMILES

C1=CC(=CC=C1C(CNC(=S)NC2=CC=C(C=C2)OC(F)(F)F)N)C(=O)NC3=CC=NC=C3

InChI

InChI=1S/C22H20F3N5O2S/c23-22(24,25)32-18-7-5-16(6-8-18)30-21(33)28-13-19(26)14-1-3-15(4-2-14)20(31)29-17-9-11-27-12-10-17/h1-12,19H,13,26H2,(H,27,29,31)(H2,28,30,33)