N-[4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioyl]phenyl]ethanamide

Systemtic Name: N-[4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioyl]phenyl]ethanamide Openeye Name: N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioyl]phenyl]acetamide CAS Name: N-[4-[[3-(2-oxo-1-pyrrolidinyl)propylamino]-sulfanylidenemethyl]phenyl]acetamide IUPAC Name: N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioyl]phenyl]acetamide Traditional Name: N-[4-[3-(2-ketopyrrolidino)propylthiocarbamoyl]phenyl]acetamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=S)NCCCN2CCCC2=O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=S)NCCCN2CCCC2=O

InChI

InChI=1S/C16H21N3O2S/c1-12(20)18-14-7-5-13(6-8-14)16(22)17-9-3-11-19-10-2-4-15(19)21/h5-8H,2-4,9-11H2,1H3,(H,17,22)(H,18,20)