1-ethyl-3-[[6-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-yl]carbonylamino]thiourea

Systemtic Name: 1-ethyl-3-[[6-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-yl]carbonylamino]thiourea Openeye Name: 1-ethyl-3-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]thiourea CAS Name: 1-ethyl-3-[[oxo-[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]methyl]amino]thiourea IUPAC Name: 1-ethyl-3-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]thiourea Traditional Name: 1-ethyl-3-[[6-keto-1-[3-(trifluoromethyl)benzyl]nicotinoyl]amino]thiourea Formula: C17H17F3N4O2S MolecularWeight: 398.40269

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)C1=CN(C(=O)C=C1)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCNC(=S)NNC(=O)C1=CN(C(=O)C=C1)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H17F3N4O2S/c1-2-21-16(27)23-22-15(26)12-6-7-14(25)24(10-12)9-11-4-3-5-13(8-11)17(18,19)20/h3-8,10H,2,9H2,1H3,(H,22,26)(H2,21,23,27)