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

Systemtic Name: 1-(3-methoxy-4-tetradecoxy-phenyl)-3-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Openeye Name: 1-(3-methoxy-4-tetradecoxy-phenyl)-3-[3-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide CAS Name: 1-(3-methoxy-4-tetradecoxyphenyl)-3-[3-(3-thiazol-3-iumylmethyl)phenyl]urea bromide IUPAC Name: 1-(3-methoxy-4-tetradecoxyphenyl)-3-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Traditional Name: 1-(3-methoxy-4-myristyloxy-phenyl)-3-[3-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Formula: C32H46BrN3O3S MolecularWeight: 632.69494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H45N3O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-38-30-19-18-29(24-31(30)37-2)34-32(36)33-28-17-15-16-27(23-28)25-35-20-22-39-26-35;/h15-20,22-24,26H,3-14,21,25H2,1-2H3,(H-,33,34,36);1H