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

Systemtic Name: 1-methyl-3-[[6-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-yl]carbonylamino]thiourea Openeye Name: 1-methyl-3-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]thiourea CAS Name: 1-methyl-3-[[oxo-[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]methyl]amino]thiourea IUPAC Name: 1-methyl-3-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]thiourea Traditional Name: 1-[[6-keto-1-[3-(trifluoromethyl)benzyl]nicotinoyl]amino]-3-methyl-thiourea Formula: C16H15F3N4O2S MolecularWeight: 384.37611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15F3N4O2S/c1-20-15(26)22-21-14(25)11-5-6-13(24)23(9-11)8-10-3-2-4-12(7-10)16(17,18)19/h2-7,9H,8H2,1H3,(H,21,25)(H2,20,22,26)