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

Systemtic Name: 1-[2-(2-nitrophenyl)sulfanylethanoylamino]-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[[2-(2-nitrophenyl)sulfanylacetyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[[2-[(2-nitrophenyl)thio]-1-oxoethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[[2-(2-nitrophenyl)sulfanylacetyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[[2-[(2-nitrophenyl)thio]acetyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C16H13F3N4O3S2 MolecularWeight: 430.42463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SCC(=O)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SCC(=O)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H13F3N4O3S2/c17-16(18,19)10-4-3-5-11(8-10)20-15(27)22-21-14(24)9-28-13-7-2-1-6-12(13)23(25)26/h1-8H,9H2,(H,21,24)(H2,20,22,27)