N-[(4-chlorophenyl)methyl]-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]propanamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(4-chlorobenzyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]propionamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)Cl)SC2=NC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)Cl)SC2=NC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C20H22ClN3O2S/c1-14(19(25)23-12-15-4-7-17(21)8-5-15)27-18-9-6-16(13-22-18)20(26)24-10-2-3-11-24/h4-9,13-14H,2-3,10-12H2,1H3,(H,23,25)