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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=S)NCC2=CC=C(C=C2)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=S)NCC2=CC=C(C=C2)F)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20FN3O4S/c1-25-16-9-13(15(22(23)24)10-17(16)26-2)7-8-20-18(27)21-11-12-3-5-14(19)6-4-12/h3-6,9-10H,7-8,11H2,1-2H3,(H2,20,21,27)