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

Systemtic Name: 1-(3-methoxy-2-tetradecoxy-phenyl)-3-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Openeye Name: 1-(3-methoxy-2-tetradecoxy-phenyl)-3-[3-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide CAS Name: 1-(3-methoxy-2-tetradecoxyphenyl)-3-[3-(3-thiazol-3-iumylmethyl)phenyl]urea bromide IUPAC Name: 1-(3-methoxy-2-tetradecoxyphenyl)-3-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Traditional Name: 1-(3-methoxy-2-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=CC=C1OC)NC(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)NC(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3.[Br-]

InChI

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