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

Systemtic Name: 1-(2-hexadecoxy-3-methoxy-phenyl)-3-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Openeye Name: 1-(2-hexadecoxy-3-methoxy-phenyl)-3-[4-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide CAS Name: 1-(2-hexadecoxy-3-methoxyphenyl)-3-[4-(3-thiazol-3-iumylmethyl)phenyl]urea bromide IUPAC Name: 1-(2-hexadecoxy-3-methoxyphenyl)-3-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Traditional Name: 1-(2-cetyloxy-3-methoxy-phenyl)-3-[4-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Formula: C34H50BrN3O3S MolecularWeight: 660.7481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1OC)NC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1OC)NC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3.[Br-]

InChI

InChI=1S/C34H49N3O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-40-33-31(18-17-19-32(33)39-2)36-34(38)35-30-22-20-29(21-23-30)27-37-24-26-41-28-37;/h17-24,26,28H,3-16,25,27H2,1-2H3,(H-,35,36,38);1H