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

Systemtic Name: 1-(3-tert-butyl-4-tetradecoxy-phenyl)-3-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Openeye Name: 1-(3-tert-butyl-4-tetradecoxy-phenyl)-3-[4-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide CAS Name: 1-(3-tert-butyl-4-tetradecoxyphenyl)-3-[4-(3-thiazol-3-iumylmethyl)phenyl]urea bromide IUPAC Name: 1-(3-tert-butyl-4-tetradecoxyphenyl)-3-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Traditional Name: 1-(3-tert-butyl-4-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=C(C=C1)NC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)C(C)(C)C.[Br-]

InChI

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