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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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