N-[2-(3-methoxyphenyl)-1-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanyl-propanamide

Systemtic Name: N-[2-(3-methoxyphenyl)-1-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanyl-propanamide Openeye Name: N-[2-(3-methoxyphenyl)-1-[1-[(E)-3-(3-pyridyl)prop-2-enoyl]-4-piperidyl]ethyl]-N-methyl-3-methylsulfanyl-propanamide CAS Name: N-[2-(3-methoxyphenyl)-1-[1-[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]-4-piperidinyl]ethyl]-N-methyl-3-(methylthio)propanamide IUPAC Name: N-[2-(3-methoxyphenyl)-1-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide Traditional Name: N-[2-(3-methoxyphenyl)-1-[1-[(E)-3-(3-pyridyl)acryloyl]-4-piperidyl]ethyl]-N-methyl-3-(methylthio)propionamide Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC(=CC=C1)OC)C2CCN(CC2)C(=O)C=CC3=CN=CC=C3)C(=O)CCSC

Isomeric SMILES

CN(C(CC1=CC(=CC=C1)OC)C2CCN(CC2)C(=O)/C=C/C3=CN=CC=C3)C(=O)CCSC

InChI

InChI=1S/C27H35N3O3S/c1-29(26(31)13-17-34-3)25(19-22-6-4-8-24(18-22)33-2)23-11-15-30(16-12-23)27(32)10-9-21-7-5-14-28-20-21/h4-10,14,18,20,23,25H,11-13,15-17,19H2,1-3H3/b10-9+