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

Systemtic Name: 1-(4-methoxy-3-tetradecoxy-phenyl)-3-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Openeye Name: 1-(4-methoxy-3-tetradecoxy-phenyl)-3-[2-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide CAS Name: 1-(4-methoxy-3-tetradecoxyphenyl)-3-[2-(3-thiazol-3-iumylmethyl)phenyl]urea bromide IUPAC Name: 1-(4-methoxy-3-tetradecoxyphenyl)-3-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Traditional Name: 1-(4-methoxy-3-myristyloxy-phenyl)-3-[2-(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(=C1)NC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3)OC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C32H45N3O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-38-31-24-28(19-20-30(31)37-2)33-32(36)34-29-18-15-14-17-27(29)25-35-21-23-39-26-35;/h14-15,17-21,23-24,26H,3-13,16,22,25H2,1-2H3,(H-,33,34,36);1H