1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluoranyl-5-nitro-phenyl)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluoranyl-5-nitro-phenyl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluoro-5-nitro-phenyl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluoro-5-nitrophenyl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluoro-5-nitrophenyl)thiourea Traditional Name: 1-(2-fluoro-5-nitro-phenyl)-3-homoveratryl-thiourea Formula: C17H18FN3O4S MolecularWeight: 379.405923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18FN3O4S/c1-24-15-6-3-11(9-16(15)25-2)7-8-19-17(26)20-14-10-12(21(22)23)4-5-13(14)18/h3-6,9-10H,7-8H2,1-2H3,(H2,19,20,26)