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

Systemtic Name: 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl N-heptylcarbamate Openeye Name: 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl N-heptylcarbamate CAS Name: N-heptylcarbamic 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-heptylcarbamate Traditional Name: N-heptylcarbamic acid 5-[(4,5-diphenyl-1H-imidazol-2-yl)thio]pentyl ester Formula: C28H37N3O2S MolecularWeight: 479.67728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)OCCCCCSC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCNC(=O)OCCCCCSC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H37N3O2S/c1-2-3-4-5-13-20-29-28(32)33-21-14-8-15-22-34-27-30-25(23-16-9-6-10-17-23)26(31-27)24-18-11-7-12-19-24/h6-7,9-12,16-19H,2-5,8,13-15,20-22H2,1H3,(H,29,32)(H,30,31)