1-(2-dodecoxy-3-fluoranyl-phenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea

Systemtic Name: 1-(2-dodecoxy-3-fluoranyl-phenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Openeye Name: 1-(2-dodecoxy-3-fluoro-phenyl)-3-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea CAS Name: 1-(2-dodecoxy-3-fluorophenyl)-3-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea IUPAC Name: 1-(2-dodecoxy-3-fluorophenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Traditional Name: 1-(3-fluoro-2-lauryloxy-phenyl)-3-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea Formula: C30H41FN3O2S+ MolecularWeight: 526.728843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=CC=C1F)NC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=CC=C1F)NC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C

InChI

InChI=1S/C30H40FN3O2S/c1-3-4-5-6-7-8-9-10-11-12-19-36-29-27(31)17-14-18-28(29)33-30(35)32-26-16-13-15-25(20-26)22-34-21-24(2)37-23-34/h13-18,20-21,23H,3-12,19,22H2,1-2H3,(H-,32,33,35)/p+1