1-(3-ethanoyl-4-tetradecoxy-phenyl)-3-[4-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide

Systemtic Name: 1-(3-ethanoyl-4-tetradecoxy-phenyl)-3-[4-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Openeye Name: 1-(3-acetyl-4-tetradecoxy-phenyl)-3-[4-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide CAS Name: 1-(3-acetyl-4-tetradecoxyphenyl)-3-[4-[(2-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea bromide IUPAC Name: 1-(3-acetyl-4-tetradecoxyphenyl)-3-[4-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Traditional Name: 1-(3-acetyl-4-myristyloxy-phenyl)-3-[4-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide Formula: C34H48BrN3O3S MolecularWeight: 658.73222

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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=C(SC=C3)C)C(=O)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C34H47N3O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-23-40-33-21-20-31(25-32(33)27(2)38)36-34(39)35-30-18-16-29(17-19-30)26-37-22-24-41-28(37)3;/h16-22,24-25H,4-15,23,26H2,1-3H3,(H-,35,36,39);1H