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

Systemtic Name: 2-(2-azanylethylsulfanyl)-N-[(Z)-2-oxidanyl-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]but-2-enyl]ethanamide Openeye Name: 2-(2-aminoethylsulfanyl)-N-[(Z)-2-hydroxy-4-[4-(1-piperidylmethyl)-2-pyridyl]but-2-enyl]acetamide CAS Name: 2-(2-aminoethylthio)-N-[(Z)-2-hydroxy-4-[4-(1-piperidinylmethyl)-2-pyridinyl]but-2-enyl]acetamide IUPAC Name: 2-(2-aminoethylsulfanyl)-N-[(Z)-2-hydroxy-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]but-2-enyl]acetamide Traditional Name: 2-(2-aminoethylthio)-N-[(Z)-2-hydroxy-4-[4-(piperidinomethyl)-2-pyridyl]but-2-enyl]acetamide Formula: C19H30N4O2S MolecularWeight: 378.5321

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=NC=C2)CC=C(CNC(=O)CSCCN)O

Isomeric SMILES

C1CCN(CC1)CC2=CC(=NC=C2)C/C=C(/CNC(=O)CSCCN)\O

InChI

InChI=1S/C19H30N4O2S/c20-7-11-26-15-19(25)22-13-18(24)5-4-17-12-16(6-8-21-17)14-23-9-2-1-3-10-23/h5-6,8,12,24H,1-4,7,9-11,13-15,20H2,(H,22,25)/b18-5-