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

Systemtic Name: 4-(4-methylpyrimidin-2-yl)sulfanyl-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]butanamide Openeye Name: 4-(4-methylpyrimidin-2-yl)sulfanyl-N-[(E)-4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]but-2-enyl]butanamide CAS Name: 4-[(4-methyl-2-pyrimidinyl)thio]-N-[(E)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]butanamide IUPAC Name: 4-(4-methylpyrimidin-2-yl)sulfanyl-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]butanamide Traditional Name: 4-[(4-methylpyrimidin-2-yl)thio]-N-[(E)-4-[[4-(piperidinomethyl)-2-pyridyl]oxy]but-2-enyl]butyramide Formula: C24H33N5O2S MolecularWeight: 455.61612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCCCC(=O)NCC=CCOC2=NC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CC1=NC(=NC=C1)SCCCC(=O)NC/C=C/COC2=NC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C24H33N5O2S/c1-20-9-12-27-24(28-20)32-17-7-8-22(30)25-11-3-6-16-31-23-18-21(10-13-26-23)19-29-14-4-2-5-15-29/h3,6,9-10,12-13,18H,2,4-5,7-8,11,14-17,19H2,1H3,(H,25,30)/b6-3+