1-(4-tetradecoxyphenyl)-3-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide

Systemtic Name: 1-(4-tetradecoxyphenyl)-3-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Openeye Name: 1-(4-tetradecoxyphenyl)-3-[3-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide CAS Name: 1-(4-tetradecoxyphenyl)-3-[3-(3-thiazol-3-iumylmethyl)phenyl]urea bromide IUPAC Name: 1-(4-tetradecoxyphenyl)-3-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Traditional Name: 1-(4-myristyloxyphenyl)-3-[3-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Formula: C31H44BrN3O2S MolecularWeight: 602.66896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H43N3O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-36-30-19-17-28(18-20-30)32-31(35)33-29-16-14-15-27(24-29)25-34-21-23-37-26-34;/h14-21,23-24,26H,2-13,22,25H2,1H3,(H-,32,33,35);1H