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

Systemtic Name: 1-(4-tert-butyl-3-tetradecoxy-phenyl)-3-[2-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Openeye Name: 1-(4-tert-butyl-3-tetradecoxy-phenyl)-3-[2-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]urea CAS Name: 1-(4-tert-butyl-3-tetradecoxyphenyl)-3-[2-[(2-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea IUPAC Name: 1-(4-tert-butyl-3-tetradecoxyphenyl)-3-[2-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Traditional Name: 1-(4-tert-butyl-3-myristyloxy-phenyl)-3-[2-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]urea Formula: C36H54N3O2S+ MolecularWeight: 592.89786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)NC(=O)NC2=CC=CC=C2C[N+]3=C(SC=C3)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)NC(=O)NC2=CC=CC=C2C[N+]3=C(SC=C3)C)C(C)(C)C

InChI

InChI=1S/C36H53N3O2S/c1-6-7-8-9-10-11-12-13-14-15-16-19-25-41-34-27-31(22-23-32(34)36(3,4)5)37-35(40)38-33-21-18-17-20-30(33)28-39-24-26-42-29(39)2/h17-18,20-24,26-27H,6-16,19,25,28H2,1-5H3,(H-,37,38,40)/p+1