1-[4-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-(2-tetradecoxyphenyl)urea bromide

Systemtic Name: 1-[4-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-(2-tetradecoxyphenyl)urea bromide Openeye Name: 1-[4-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]-3-(2-tetradecoxyphenyl)urea bromide CAS Name: 1-[4-[(4-methyl-3-thiazol-3-iumyl)methyl]phenyl]-3-(2-tetradecoxyphenyl)urea bromide IUPAC Name: 1-[4-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-(2-tetradecoxyphenyl)urea bromide Traditional Name: 1-[4-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]-3-(2-myristyloxyphenyl)urea bromide Formula: C32H46BrN3O2S MolecularWeight: 616.69554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3C.[Br-]

InChI

InChI=1S/C32H45N3O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-37-31-18-15-14-17-30(31)34-32(36)33-29-21-19-28(20-22-29)24-35-26-38-25-27(35)2;/h14-15,17-22,25-26H,3-13,16,23-24H2,1-2H3,(H-,33,34,36);1H