N-[4-[2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanylethanoyl]phenyl]propanamide

Systemtic Name: N-[4-[2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanylethanoyl]phenyl]propanamide Openeye Name: N-[4-[2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]acetyl]phenyl]propanamide CAS Name: N-[4-[1-oxo-2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]ethyl]phenyl]propanamide IUPAC Name: N-[4-[2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylacetyl]phenyl]propanamide Traditional Name: N-[4-[2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]acetyl]phenyl]propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C21H23N3O3S/c1-2-19(26)23-17-8-5-15(6-9-17)18(25)14-28-20-10-7-16(13-22-20)21(27)24-11-3-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,26)