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

Systemtic Name: 1-(3-tert-butyl-2-tetradecoxy-phenyl)-3-[3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Openeye Name: 1-(3-tert-butyl-2-tetradecoxy-phenyl)-3-[3-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide CAS Name: 1-(3-tert-butyl-2-tetradecoxyphenyl)-3-[3-[(4-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea bromide IUPAC Name: 1-(3-tert-butyl-2-tetradecoxyphenyl)-3-[3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea bromide Traditional Name: 1-(3-tert-butyl-2-myristyloxy-phenyl)-3-[3-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]urea bromide Formula: C36H54BrN3O2S MolecularWeight: 672.80186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H53N3O2S.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-41-34-32(36(3,4)5)22-19-23-33(34)38-35(40)37-31-21-18-20-30(25-31)26-39-28-42-27-29(39)2;/h18-23,25,27-28H,6-17,24,26H2,1-5H3,(H-,37,38,40);1H