4-(4-methylsulfanylphenyl)-4-oxidanylidene-N-(2-pyridin-3-yl-2-pyrrolidin-1-yl-ethyl)butanamide

Systemtic Name: 4-(4-methylsulfanylphenyl)-4-oxidanylidene-N-(2-pyridin-3-yl-2-pyrrolidin-1-yl-ethyl)butanamide Openeye Name: 4-(4-methylsulfanylphenyl)-4-oxo-N-[2-(3-pyridyl)-2-pyrrolidin-1-yl-ethyl]butanamide CAS Name: 4-[4-(methylthio)phenyl]-4-oxo-N-[2-(3-pyridinyl)-2-(1-pyrrolidinyl)ethyl]butanamide IUPAC Name: 4-(4-methylsulfanylphenyl)-4-oxo-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)butanamide Traditional Name: 4-keto-4-[4-(methylthio)phenyl]-N-[2-(3-pyridyl)-2-pyrrolidino-ethyl]butyramide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)NCC(C2=CN=CC=C2)N3CCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)NCC(C2=CN=CC=C2)N3CCCC3

InChI

InChI=1S/C22H27N3O2S/c1-28-19-8-6-17(7-9-19)21(26)10-11-22(27)24-16-20(25-13-2-3-14-25)18-5-4-12-23-15-18/h4-9,12,15,20H,2-3,10-11,13-14,16H2,1H3,(H,24,27)