1-[2-(2-nitrophenyl)ethanoylamino]-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[2-(2-nitrophenyl)ethanoylamino]-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[[2-(2-nitrophenyl)acetyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[[2-(2-nitrophenyl)-1-oxoethyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[[2-(2-nitrophenyl)acetyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[[2-(2-nitrophenyl)acetyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C16H13F3N4O3S MolecularWeight: 398.35963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=O)NNC(=S)NC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC(=O)NNC(=S)NC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H13F3N4O3S/c17-16(18,19)11-6-2-3-7-12(11)20-15(27)22-21-14(24)9-10-5-1-4-8-13(10)23(25)26/h1-8H,9H2,(H,21,24)(H2,20,22,27)