1-[3,5-bis(trifluoromethyl)phenyl]-3-[(2-phenoxypyridin-3-yl)carbonylamino]thiourea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(2-phenoxypyridin-3-yl)carbonylamino]thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[[oxo-(2-phenoxy-3-pyridinyl)methyl]amino]thiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(2-phenoxynicotinoyl)amino]thiourea Formula: C21H14F6N4O2S MolecularWeight: 500.416879

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)NNC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)NNC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H14F6N4O2S/c22-20(23,24)12-9-13(21(25,26)27)11-14(10-12)29-19(34)31-30-17(32)16-7-4-8-28-18(16)33-15-5-2-1-3-6-15/h1-11H,(H,30,32)(H2,29,31,34)