3-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-heptyl-1-propyl-urea

Systemtic Name: 3-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-heptyl-1-propyl-urea Openeye Name: 3-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-heptyl-1-propyl-urea CAS Name: 3-[5-[(4,5-diphenyl-1H-imidazol-2-yl)thio]pentyl]-1-heptyl-1-propylurea IUPAC Name: 3-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-heptyl-1-propylurea Traditional Name: 3-[5-[(4,5-diphenyl-1H-imidazol-2-yl)thio]pentyl]-1-heptyl-1-propyl-urea Formula: C31H44N4OS MolecularWeight: 520.77226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCC)C(=O)NCCCCCSC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCN(CCC)C(=O)NCCCCCSC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C31H44N4OS/c1-3-5-6-7-16-24-35(23-4-2)31(36)32-22-15-10-17-25-37-30-33-28(26-18-11-8-12-19-26)29(34-30)27-20-13-9-14-21-27/h8-9,11-14,18-21H,3-7,10,15-17,22-25H2,1-2H3,(H,32,36)(H,33,34)