1-(3-tert-butyl-4-tetradecoxy-phenyl)-3-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea

Systemtic Name: 1-(3-tert-butyl-4-tetradecoxy-phenyl)-3-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Openeye Name: 1-(3-tert-butyl-4-tetradecoxy-phenyl)-3-[2-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea CAS Name: 1-(3-tert-butyl-4-tetradecoxyphenyl)-3-[2-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea IUPAC Name: 1-(3-tert-butyl-4-tetradecoxyphenyl)-3-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Traditional Name: 1-(3-tert-butyl-4-myristyloxy-phenyl)-3-[2-[(5-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=C(C=C1)NC(=O)NC2=CC=CC=C2C[N+]3=CSC(=C3)C)C(C)(C)C

Isomeric SMILES

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

InChI

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