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

Systemtic Name: 1-(3-fluoranyl-2-tetradecoxy-phenyl)-3-[2-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Openeye Name: 1-(3-fluoro-2-tetradecoxy-phenyl)-3-[2-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]urea CAS Name: 1-(3-fluoro-2-tetradecoxyphenyl)-3-[2-[(4-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea IUPAC Name: 1-(3-fluoro-2-tetradecoxyphenyl)-3-[2-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Traditional Name: 1-(3-fluoro-2-myristyloxy-phenyl)-3-[2-[(4-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=CC=C2C[N+]3=CSC=C3C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1F)NC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3C

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)23-36-25-39-24-26(36)2/h14-15,17-21,24-25H,3-13,16,22-23H2,1-2H3,(H-,34,35,37)/p+1