1-butyl-3-[3-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylpropyl]urea

Systemtic Name: 1-butyl-3-[3-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylpropyl]urea Openeye Name: 1-butyl-3-[3-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylpropyl]urea CAS Name: 1-butyl-3-[3-[(4,5-diphenyl-1-propyl-2-imidazolyl)thio]propyl]urea IUPAC Name: 1-butyl-3-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]urea Traditional Name: 1-butyl-3-[3-[(4,5-diphenyl-1-propyl-imidazol-2-yl)thio]propyl]urea Formula: C26H34N4OS MolecularWeight: 450.63936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NCCCSC1=NC(=C(N1CCC)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)NCCCSC1=NC(=C(N1CCC)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H34N4OS/c1-3-5-17-27-25(31)28-18-12-20-32-26-29-23(21-13-8-6-9-14-21)24(30(26)19-4-2)22-15-10-7-11-16-22/h6-11,13-16H,3-5,12,17-20H2,1-2H3,(H2,27,28,31)