1-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-3-(4-phenoxyphenyl)thiourea

Systemtic Name: 1-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-[2-nitro-4-(trifluoromethyl)anilino]-3-(4-phenoxyphenyl)thiourea CAS Name: 1-[2-nitro-4-(trifluoromethyl)anilino]-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-[2-nitro-4-(trifluoromethyl)anilino]-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-[2-nitro-4-(trifluoromethyl)anilino]-3-(4-phenoxyphenyl)thiourea Formula: C20H15F3N4O3S MolecularWeight: 448.41831

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H15F3N4O3S/c21-20(22,23)13-6-11-17(18(12-13)27(28)29)25-26-19(31)24-14-7-9-16(10-8-14)30-15-4-2-1-3-5-15/h1-12,25H,(H2,24,26,31)