N-(4-methylsulfanylphenyl)-6-[(E)-3-pyridin-4-ylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide

Systemtic Name: N-(4-methylsulfanylphenyl)-6-[(E)-3-pyridin-4-ylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide Openeye Name: N-(4-methylsulfanylphenyl)-6-[(E)-3-(4-pyridyl)prop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide CAS Name: N-[4-(methylthio)phenyl]-6-[(E)-1-oxo-3-pyridin-4-ylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide IUPAC Name: N-(4-methylsulfanylphenyl)-6-[(E)-3-pyridin-4-ylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide Traditional Name: N-[4-(methylthio)phenyl]-6-[(E)-3-(4-pyridyl)acryloyl]-6-azaspiro[2.5]octane-2-carboxamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2CC23CCN(CC3)C(=O)C=CC4=CC=NC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C2CC23CCN(CC3)C(=O)/C=C/C4=CC=NC=C4

InChI

InChI=1S/C23H25N3O2S/c1-29-19-5-3-18(4-6-19)25-22(28)20-16-23(20)10-14-26(15-11-23)21(27)7-2-17-8-12-24-13-9-17/h2-9,12-13,20H,10-11,14-16H2,1H3,(H,25,28)/b7-2+