1-(3-fluoranyl-2-tetradecoxy-phenyl)-3-[4-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea

Systemtic Name: 1-(3-fluoranyl-2-tetradecoxy-phenyl)-3-[4-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Openeye Name: 1-(3-fluoro-2-tetradecoxy-phenyl)-3-[4-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]urea CAS Name: 1-(3-fluoro-2-tetradecoxyphenyl)-3-[4-[(2-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea IUPAC Name: 1-(3-fluoro-2-tetradecoxyphenyl)-3-[4-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Traditional Name: 1-(3-fluoro-2-myristyloxy-phenyl)-3-[4-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]urea Formula: C32H45FN3O2S+ MolecularWeight: 554.782003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1F)NC(=O)NC2=CC=C(C=C2)C[N+]3=C(SC=C3)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1F)NC(=O)NC2=CC=C(C=C2)C[N+]3=C(SC=C3)C

InChI

InChI=1S/C32H44FN3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-23-38-31-29(33)16-15-17-30(31)35-32(37)34-28-20-18-27(19-21-28)25-36-22-24-39-26(36)2/h15-22,24H,3-14,23,25H2,1-2H3,(H-,34,35,37)/p+1