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

Systemtic Name: 1-(3-fluoranyl-2-tetradecoxy-phenyl)-3-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Openeye Name: 1-(3-fluoro-2-tetradecoxy-phenyl)-3-[2-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea CAS Name: 1-(3-fluoro-2-tetradecoxyphenyl)-3-[2-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea IUPAC Name: 1-(3-fluoro-2-tetradecoxyphenyl)-3-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Traditional Name: 1-(3-fluoro-2-myristyloxy-phenyl)-3-[2-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea Formula: C32H45FN3O2S+ MolecularWeight: 554.782003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1F)NC(=O)NC2=CC=CC=C2C[N+]3=CSC(=C3)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1F)NC(=O)NC2=CC=CC=C2C[N+]3=CSC(=C3)C

InChI

InChI=1S/C32H44FN3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-38-31-28(33)19-17-21-30(31)35-32(37)34-29-20-15-14-18-27(29)24-36-23-26(2)39-25-36/h14-15,17-21,23,25H,3-13,16,22,24H2,1-2H3,(H-,34,35,37)/p+1