1-(3,4-dimethoxyphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Formula: C16H14F3N3O4S MolecularWeight: 401.36027

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)OC

InChI

InChI=1S/C16H14F3N3O4S/c1-25-13-6-3-9(7-14(13)26-2)20-15(27)21-12-5-4-10(22(23)24)8-11(12)16(17,18)19/h3-8H,1-2H3,(H2,20,21,27)