1-(4-tert-butyl-3-decoxy-phenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide

Systemtic Name: 1-(4-tert-butyl-3-decoxy-phenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Openeye Name: 1-(4-tert-butyl-3-decoxy-phenyl)-3-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide CAS Name: 1-(4-tert-butyl-3-decoxyphenyl)-3-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea bromide IUPAC Name: 1-(4-tert-butyl-3-decoxyphenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Traditional Name: 1-(4-tert-butyl-3-decoxy-phenyl)-3-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide Formula: C32H46BrN3O2S MolecularWeight: 616.69554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=CC(=C1)NC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCOC1=C(C=CC(=C1)NC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(C)(C)C.[Br-]

InChI

InChI=1S/C32H45N3O2S.BrH/c1-6-7-8-9-10-11-12-13-19-37-30-21-28(17-18-29(30)32(3,4)5)34-31(36)33-27-16-14-15-26(20-27)23-35-22-25(2)38-24-35;/h14-18,20-22,24H,6-13,19,23H2,1-5H3,(H-,33,34,36);1H