N-ethanoyl-2-(furan-2-ylmethylsulfanyl)-N-[(Z)-2-oxidanyl-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]but-2-enyl]ethanamide

Systemtic Name: N-ethanoyl-2-(furan-2-ylmethylsulfanyl)-N-[(Z)-2-oxidanyl-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]but-2-enyl]ethanamide Openeye Name: N-acetyl-2-(2-furylmethylsulfanyl)-N-[(Z)-2-hydroxy-4-[4-(1-piperidylmethyl)-2-pyridyl]but-2-enyl]acetamide CAS Name: N-acetyl-2-(2-furanylmethylthio)-N-[(Z)-2-hydroxy-4-[4-(1-piperidinylmethyl)-2-pyridinyl]but-2-enyl]acetamide IUPAC Name: N-acetyl-2-(furan-2-ylmethylsulfanyl)-N-[(Z)-2-hydroxy-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]but-2-enyl]acetamide Traditional Name: N-acetyl-2-(2-furfurylthio)-N-[(Z)-2-hydroxy-4-[4-(piperidinomethyl)-2-pyridyl]but-2-enyl]acetamide Formula: C24H31N3O4S MolecularWeight: 457.58564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC(=CCC1=NC=CC(=C1)CN2CCCCC2)O)C(=O)CSCC3=CC=CO3

Isomeric SMILES

CC(=O)N(C/C(=C/CC1=NC=CC(=C1)CN2CCCCC2)/O)C(=O)CSCC3=CC=CO3

InChI

InChI=1S/C24H31N3O4S/c1-19(28)27(24(30)18-32-17-23-6-5-13-31-23)16-22(29)8-7-21-14-20(9-10-25-21)15-26-11-3-2-4-12-26/h5-6,8-10,13-14,29H,2-4,7,11-12,15-18H2,1H3/b22-8-