1-(3-ethanoyl-4-tetradecoxy-phenyl)-3-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide

Systemtic Name: 1-(3-ethanoyl-4-tetradecoxy-phenyl)-3-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Openeye Name: 1-(3-acetyl-4-tetradecoxy-phenyl)-3-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide CAS Name: 1-(3-acetyl-4-tetradecoxyphenyl)-3-[4-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea bromide IUPAC Name: 1-(3-acetyl-4-tetradecoxyphenyl)-3-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Traditional Name: 1-(3-acetyl-4-myristyloxy-phenyl)-3-[4-[(5-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=CSC(=C3)C)C(=O)C.[Br-]

Isomeric SMILES

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

InChI

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