1-(4-tetradecoxyphenyl)-3-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide

Systemtic Name: 1-(4-tetradecoxyphenyl)-3-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Openeye Name: 1-(4-tetradecoxyphenyl)-3-[2-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide CAS Name: 1-(4-tetradecoxyphenyl)-3-[2-(3-thiazol-3-iumylmethyl)phenyl]urea bromide IUPAC Name: 1-(4-tetradecoxyphenyl)-3-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Traditional Name: 1-(4-myristyloxyphenyl)-3-[2-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Formula: C31H44BrN3O2S MolecularWeight: 602.66896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3.[Br-]

InChI

InChI=1S/C31H43N3O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-15-23-36-29-20-18-28(19-21-29)32-31(35)33-30-17-14-13-16-27(30)25-34-22-24-37-26-34;/h13-14,16-22,24,26H,2-12,15,23,25H2,1H3,(H-,32,33,35);1H