3-(2-azanylethylsulfanylmethyl)-4-oxidanylidene-3-piperidin-4-yl-4-pyridin-3-yl-butanal

Systemtic Name: 3-(2-azanylethylsulfanylmethyl)-4-oxidanylidene-3-piperidin-4-yl-4-pyridin-3-yl-butanal Openeye Name: 3-(2-aminoethylsulfanylmethyl)-4-oxo-3-(4-piperidyl)-4-(3-pyridyl)butanal CAS Name: 3-[(2-aminoethylthio)methyl]-4-oxo-3-(4-piperidinyl)-4-(3-pyridinyl)butanal IUPAC Name: 3-(2-aminoethylsulfanylmethyl)-4-oxo-3-piperidin-4-yl-4-pyridin-3-ylbutanal Traditional Name: 3-[(2-aminoethylthio)methyl]-4-keto-3-(4-piperidyl)-4-(3-pyridyl)butyraldehyde Formula: C17H25N3O2S MolecularWeight: 335.4643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(CC=O)(CSCCN)C(=O)C2=CN=CC=C2

Isomeric SMILES

C1CNCCC1C(CC=O)(CSCCN)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C17H25N3O2S/c18-6-11-23-13-17(5-10-21,15-3-8-19-9-4-15)16(22)14-2-1-7-20-12-14/h1-2,7,10,12,15,19H,3-6,8-9,11,13,18H2