1-(2-cyano-4,5-dimethoxy-phenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(2-cyano-4,5-dimethoxy-phenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]thiourea Openeye Name: 1-(2-cyano-4,5-dimethoxy-phenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]thiourea CAS Name: 1-(2-cyano-4,5-dimethoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]thiourea IUPAC Name: 1-(2-cyano-4,5-dimethoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]thiourea Traditional Name: 1-(2-cyano-4,5-dimethoxy-phenyl)-3-[3-(trifluoromethyl)benzyl]thiourea Formula: C18H16F3N3O2S MolecularWeight: 395.39875

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)NC(=S)NCC2=CC(=CC=C2)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)NC(=S)NCC2=CC(=CC=C2)C(F)(F)F)OC

InChI

InChI=1S/C18H16F3N3O2S/c1-25-15-7-12(9-22)14(8-16(15)26-2)24-17(27)23-10-11-4-3-5-13(6-11)18(19,20)21/h3-8H,10H2,1-2H3,(H2,23,24,27)