1-(3-tert-butyl-2-tetradecoxy-phenyl)-3-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide

Systemtic Name: 1-(3-tert-butyl-2-tetradecoxy-phenyl)-3-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Openeye Name: 1-(3-tert-butyl-2-tetradecoxy-phenyl)-3-[4-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide CAS Name: 1-(3-tert-butyl-2-tetradecoxyphenyl)-3-[4-(3-thiazol-3-iumylmethyl)phenyl]urea bromide IUPAC Name: 1-(3-tert-butyl-2-tetradecoxyphenyl)-3-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Traditional Name: 1-(3-tert-butyl-2-myristyloxy-phenyl)-3-[4-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Formula: C35H52BrN3O2S MolecularWeight: 658.77528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1NC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1NC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)C(C)(C)C.[Br-]

InChI

InChI=1S/C35H51N3O2S.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-25-40-33-31(35(2,3)4)18-17-19-32(33)37-34(39)36-30-22-20-29(21-23-30)27-38-24-26-41-28-38;/h17-24,26,28H,5-16,25,27H2,1-4H3,(H-,36,37,39);1H