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

Systemtic Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(3-fluoranyl-4-methyl-phenyl)thiourea Openeye Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(3-fluoro-4-methyl-phenyl)thiourea CAS Name: 1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(3-fluoro-4-methylphenyl)thiourea IUPAC Name: 1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(3-fluoro-4-methylphenyl)thiourea Traditional Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(3-fluoro-4-methyl-phenyl)thiourea Formula: C18H20FN3O4S MolecularWeight: 393.432503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)F

InChI

InChI=1S/C18H20FN3O4S/c1-11-4-5-13(9-14(11)19)21-18(27)20-7-6-12-8-16(25-2)17(26-3)10-15(12)22(23)24/h4-5,8-10H,6-7H2,1-3H3,(H2,20,21,27)