propan-2-yl (E)-N-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]benzenecarboximidothioate

Systemtic Name: propan-2-yl (E)-N-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]benzenecarboximidothioate Openeye Name: isopropyl (E)-N-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzenecarboximidothioate CAS Name: (E)-N-[[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]benzenecarboximidothioic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-N-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzenecarboximidothioate Traditional Name: (E)-N-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzenecarboximidothioic acid isopropyl ester Formula: C18H18F3N3O2S MolecularWeight: 397.41463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(=NNC(=O)NC1=CC=C(C=C1)OC(F)(F)F)C2=CC=CC=C2

Isomeric SMILES

CC(C)S/C(=N/NC(=O)NC1=CC=C(C=C1)OC(F)(F)F)/C2=CC=CC=C2

InChI

InChI=1S/C18H18F3N3O2S/c1-12(2)27-16(13-6-4-3-5-7-13)23-24-17(25)22-14-8-10-15(11-9-14)26-18(19,20)21/h3-12H,1-2H3,(H2,22,24,25)/b23-16+