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

Systemtic Name: 1-(3-tert-butyl-4-dodecoxy-phenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Openeye Name: 1-(3-tert-butyl-4-dodecoxy-phenyl)-3-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide CAS Name: 1-(3-tert-butyl-4-dodecoxyphenyl)-3-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea bromide IUPAC Name: 1-(3-tert-butyl-4-dodecoxyphenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Traditional Name: 1-(3-tert-butyl-4-lauryloxy-phenyl)-3-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide Formula: C34H50BrN3O2S MolecularWeight: 644.7487

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(C)(C)C.[Br-]

InChI

InChI=1S/C34H49N3O2S.BrH/c1-6-7-8-9-10-11-12-13-14-15-21-39-32-20-19-30(23-31(32)34(3,4)5)36-33(38)35-29-18-16-17-28(22-29)25-37-24-27(2)40-26-37;/h16-20,22-24,26H,6-15,21,25H2,1-5H3,(H-,35,36,38);1H