1-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-(4-tetradecoxyphenyl)urea bromide

Systemtic Name: 1-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-(4-tetradecoxyphenyl)urea bromide Openeye Name: 1-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-3-(4-tetradecoxyphenyl)urea bromide CAS Name: 1-[4-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]-3-(4-tetradecoxyphenyl)urea bromide IUPAC Name: 1-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-(4-tetradecoxyphenyl)urea bromide Traditional Name: 1-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-3-(4-myristyloxyphenyl)urea bromide Formula: C32H46BrN3O2S MolecularWeight: 616.69554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H45N3O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-23-37-31-21-19-30(20-22-31)34-32(36)33-29-17-15-28(16-18-29)25-35-24-27(2)38-26-35;/h15-22,24,26H,3-14,23,25H2,1-2H3,(H-,33,34,36);1H