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

Systemtic Name: 1-(3-hexadecoxyphenyl)-3-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Openeye Name: 1-(3-hexadecoxyphenyl)-3-[4-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide CAS Name: 1-(3-hexadecoxyphenyl)-3-[4-(3-thiazol-3-iumylmethyl)phenyl]urea bromide IUPAC Name: 1-(3-hexadecoxyphenyl)-3-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Traditional Name: 1-(3-cetyloxyphenyl)-3-[4-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Formula: C33H48BrN3O2S MolecularWeight: 630.72212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1)NC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1)NC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3.[Br-]

InChI

InChI=1S/C33H47N3O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-38-32-18-16-17-31(26-32)35-33(37)34-30-21-19-29(20-22-30)27-36-23-25-39-28-36;/h16-23,25-26,28H,2-15,24,27H2,1H3,(H-,34,35,37);1H