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

Systemtic Name: 1-(3-ethanoyl-4-tetradecoxy-phenyl)-3-[2-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Openeye Name: 1-(3-acetyl-4-tetradecoxy-phenyl)-3-[2-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide CAS Name: 1-(3-acetyl-4-tetradecoxyphenyl)-3-[2-[(4-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea bromide IUPAC Name: 1-(3-acetyl-4-tetradecoxyphenyl)-3-[2-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Traditional Name: 1-(3-acetyl-4-myristyloxy-phenyl)-3-[2-[(4-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=CC=C2C[N+]3=CSC=C3C)C(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3C)C(=O)C.[Br-]

InChI

InChI=1S/C34H47N3O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-40-33-21-20-30(23-31(33)28(3)38)35-34(39)36-32-19-16-15-18-29(32)24-37-26-41-25-27(37)2;/h15-16,18-21,23,25-26H,4-14,17,22,24H2,1-3H3,(H-,35,36,39);1H