N-(6-azanylhexyl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-azanylhexyl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-aminohexyl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(6-aminohexyl)-2-[(1,4,5-triphenyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(6-aminohexyl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(6-aminohexyl)-2-[(1,4,5-triphenylimidazol-2-yl)thio]acetamide Formula: C29H32N4OS MolecularWeight: 484.65558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=N2)SCC(=O)NCCCCCCN)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=N2)SCC(=O)NCCCCCCN)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H32N4OS/c30-20-12-1-2-13-21-31-26(34)22-35-29-32-27(23-14-6-3-7-15-23)28(24-16-8-4-9-17-24)33(29)25-18-10-5-11-19-25/h3-11,14-19H,1-2,12-13,20-22,30H2,(H,31,34)