N-(6-azanylhexyl)-5-(4,5-diphenyl-1-prop-2-enyl-imidazol-2-yl)sulfanyl-pentanamide

Systemtic Name: N-(6-azanylhexyl)-5-(4,5-diphenyl-1-prop-2-enyl-imidazol-2-yl)sulfanyl-pentanamide Openeye Name: 5-(1-allyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-N-(6-aminohexyl)pentanamide CAS Name: N-(6-aminohexyl)-5-[(4,5-diphenyl-1-prop-2-enyl-2-imidazolyl)thio]pentanamide IUPAC Name: N-(6-aminohexyl)-5-(4,5-diphenyl-1-prop-2-enylimidazol-2-yl)sulfanylpentanamide Traditional Name: 5-[(1-allyl-4,5-diphenyl-imidazol-2-yl)thio]-N-(6-aminohexyl)valeramide Formula: C29H38N4OS MolecularWeight: 490.70322

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C(N=C1SCCCCC(=O)NCCCCCCN)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=C(N=C1SCCCCC(=O)NCCCCCCN)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H38N4OS/c1-2-22-33-28(25-17-9-6-10-18-25)27(24-15-7-5-8-16-24)32-29(33)35-23-14-11-19-26(34)31-21-13-4-3-12-20-30/h2,5-10,15-18H,1,3-4,11-14,19-23,30H2,(H,31,34)