4-(1-methylimidazol-2-yl)sulfanyl-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]butanamide

Systemtic Name: 4-(1-methylimidazol-2-yl)sulfanyl-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]butanamide Openeye Name: 4-(1-methylimidazol-2-yl)sulfanyl-N-[(E)-4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]but-2-enyl]butanamide CAS Name: 4-[(1-methyl-2-imidazolyl)thio]-N-[(E)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]butanamide IUPAC Name: 4-(1-methylimidazol-2-yl)sulfanyl-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]butanamide Traditional Name: 4-[(1-methylimidazol-2-yl)thio]-N-[(E)-4-[[4-(piperidinomethyl)-2-pyridyl]oxy]but-2-enyl]butyramide Formula: C23H33N5O2S MolecularWeight: 443.60542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCCC(=O)NCC=CCOC2=NC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CN1C=CN=C1SCCCC(=O)NC/C=C/COC2=NC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C23H33N5O2S/c1-27-15-12-26-23(27)31-17-7-8-21(29)24-10-3-6-16-30-22-18-20(9-11-25-22)19-28-13-4-2-5-14-28/h3,6,9,11-12,15,18H,2,4-5,7-8,10,13-14,16-17,19H2,1H3,(H,24,29)/b6-3+