4-[4-(methylamino)-3-pentyl-5-(phenylmethylsulfanyl)-1,3,4-thiadiazolidin-2-yl]-4-oxidanylidene-butanal

Systemtic Name: 4-[4-(methylamino)-3-pentyl-5-(phenylmethylsulfanyl)-1,3,4-thiadiazolidin-2-yl]-4-oxidanylidene-butanal Openeye Name: 4-[5-benzylsulfanyl-4-(methylamino)-3-pentyl-1,3,4-thiadiazolidin-2-yl]-4-oxo-butanal CAS Name: 4-[4-(methylamino)-3-pentyl-5-(phenylmethylthio)-1,3,4-thiadiazolidin-2-yl]-4-oxobutanal IUPAC Name: 4-[5-benzylsulfanyl-4-(methylamino)-3-pentyl-1,3,4-thiadiazolidin-2-yl]-4-oxobutanal Traditional Name: 4-[3-amyl-5-(benzylthio)-4-(methylamino)-1,3,4-thiadiazolidin-2-yl]-4-keto-butyraldehyde Formula: C19H29N3O2S2 MolecularWeight: 395.58246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(SC(N1NC)SCC2=CC=CC=C2)C(=O)CCC=O

Isomeric SMILES

CCCCCN1C(SC(N1NC)SCC2=CC=CC=C2)C(=O)CCC=O

InChI

InChI=1S/C19H29N3O2S2/c1-3-4-8-13-21-18(17(24)12-9-14-23)26-19(22(21)20-2)25-15-16-10-6-5-7-11-16/h5-7,10-11,14,18-20H,3-4,8-9,12-13,15H2,1-2H3