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

Systemtic Name: 1-(3-tert-butyl-2-tetradecoxy-phenyl)-3-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Openeye Name: 1-(3-tert-butyl-2-tetradecoxy-phenyl)-3-[2-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide CAS Name: 1-(3-tert-butyl-2-tetradecoxyphenyl)-3-[2-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea bromide IUPAC Name: 1-(3-tert-butyl-2-tetradecoxyphenyl)-3-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Traditional Name: 1-(3-tert-butyl-2-myristyloxy-phenyl)-3-[2-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide Formula: C36H54BrN3O2S MolecularWeight: 672.80186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1NC(=O)NC2=CC=CC=C2C[N+]3=CSC(=C3)C)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1NC(=O)NC2=CC=CC=C2C[N+]3=CSC(=C3)C)C(C)(C)C.[Br-]

InChI

InChI=1S/C36H53N3O2S.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-19-25-41-34-31(36(3,4)5)22-20-24-33(34)38-35(40)37-32-23-18-17-21-30(32)27-39-26-29(2)42-28-39;/h17-18,20-24,26,28H,6-16,19,25,27H2,1-5H3,(H-,37,38,40);1H