5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl N-heptyl-N-octyl-carbamate

Systemtic Name: 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl N-heptyl-N-octyl-carbamate Openeye Name: 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl N-heptyl-N-octyl-carbamate CAS Name: N-heptyl-N-octylcarbamic acid 5-[(4,5-diphenyl-1H-imidazol-2-yl)thio]pentyl ester IUPAC Name: 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl N-heptyl-N-octylcarbamate Traditional Name: N-heptyl-N-octyl-carbamic acid 5-[(4,5-diphenyl-1H-imidazol-2-yl)thio]pentyl ester Formula: C36H53N3O2S MolecularWeight: 591.88992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCC)C(=O)OCCCCCSC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCN(CCCCCCC)C(=O)OCCCCCSC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C36H53N3O2S/c1-3-5-7-9-11-20-28-39(27-19-10-8-6-4-2)36(40)41-29-21-14-22-30-42-35-37-33(31-23-15-12-16-24-31)34(38-35)32-25-17-13-18-26-32/h12-13,15-18,23-26H,3-11,14,19-22,27-30H2,1-2H3,(H,37,38)