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

Systemtic Name: 1-(3-ethanoyl-2-tetradecoxy-phenyl)-3-[4-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Openeye Name: 1-(3-acetyl-2-tetradecoxy-phenyl)-3-[4-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide CAS Name: 1-(3-acetyl-2-tetradecoxyphenyl)-3-[4-[(2-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea bromide IUPAC Name: 1-(3-acetyl-2-tetradecoxyphenyl)-3-[4-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Traditional Name: 1-(3-acetyl-2-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=CC=C1NC(=O)NC2=CC=C(C=C2)C[N+]3=C(SC=C3)C)C(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1NC(=O)NC2=CC=C(C=C2)C[N+]3=C(SC=C3)C)C(=O)C.[Br-]

InChI

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