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

Systemtic Name: 1-(4-tert-butyl-2-tetradecoxy-phenyl)-3-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Openeye Name: 1-(4-tert-butyl-2-tetradecoxy-phenyl)-3-[2-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide CAS Name: 1-(4-tert-butyl-2-tetradecoxyphenyl)-3-[2-(3-thiazol-3-iumylmethyl)phenyl]urea bromide IUPAC Name: 1-(4-tert-butyl-2-tetradecoxyphenyl)-3-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Traditional Name: 1-(4-tert-butyl-2-myristyloxy-phenyl)-3-[2-(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(=C1)C(C)(C)C)NC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(C)(C)C)NC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3.[Br-]

InChI

InChI=1S/C35H51N3O2S.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-18-24-40-33-26-30(35(2,3)4)21-22-32(33)37-34(39)36-31-20-17-16-19-29(31)27-38-23-25-41-28-38;/h16-17,19-23,25-26,28H,5-15,18,24,27H2,1-4H3,(H-,36,37,39);1H