N-[[1-(6-azanylhexanoyl)piperidin-4-yl]methyl]-N-[2-(phenylmethylidene)heptyl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[[1-(6-azanylhexanoyl)piperidin-4-yl]methyl]-N-[2-(phenylmethylidene)heptyl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[[1-(6-aminohexanoyl)-4-piperidyl]methyl]-N-(2-benzylideneheptyl)-2-(2-thienyl)acetamide CAS Name: N-[[1-(6-amino-1-oxohexyl)-4-piperidinyl]methyl]-N-[2-(phenylmethylene)heptyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[[1-(6-aminohexanoyl)piperidin-4-yl]methyl]-N-(2-benzylideneheptyl)-2-thiophen-2-ylacetamide Traditional Name: N-[[1-(6-aminohexanoyl)-4-piperidyl]methyl]-N-(2-amyl-3-phenyl-allyl)-2-(2-thienyl)acetamide Formula: C32H47N3O2S MolecularWeight: 537.79948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=CC=CC=C1)CN(CC2CCN(CC2)C(=O)CCCCCN)C(=O)CC3=CC=CS3

Isomeric SMILES

CCCCCC(=CC1=CC=CC=C1)CN(CC2CCN(CC2)C(=O)CCCCCN)C(=O)CC3=CC=CS3

InChI

InChI=1S/C32H47N3O2S/c1-2-3-6-14-29(23-27-12-7-4-8-13-27)26-35(32(37)24-30-15-11-22-38-30)25-28-17-20-34(21-18-28)31(36)16-9-5-10-19-33/h4,7-8,11-13,15,22-23,28H,2-3,5-6,9-10,14,16-21,24-26,33H2,1H3