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

Systemtic Name: 1-(3-fluoranyl-4-tetradecoxy-phenyl)-3-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Openeye Name: 1-(3-fluoro-4-tetradecoxy-phenyl)-3-[3-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]urea CAS Name: 1-(3-fluoro-4-tetradecoxyphenyl)-3-[3-[(2-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea IUPAC Name: 1-(3-fluoro-4-tetradecoxyphenyl)-3-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Traditional Name: 1-(3-fluoro-4-myristyloxy-phenyl)-3-[3-[(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=C(C=C1)NC(=O)NC2=CC=CC(=C2)C[N+]3=C(SC=C3)C)F

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=C2)C[N+]3=C(SC=C3)C)F

InChI

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