N-[(3-methylsulfanylphenyl)methyl]-6-oxidanylidene-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]piperidine-3-carboxamide

Systemtic Name: N-[(3-methylsulfanylphenyl)methyl]-6-oxidanylidene-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]piperidine-3-carboxamide Openeye Name: N-[(3-methylsulfanylphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide CAS Name: N-[[3-(methylthio)phenyl]methyl]-6-oxo-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-3-piperidinecarboxamide IUPAC Name: N-[(3-methylsulfanylphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide Traditional Name: 6-keto-1-[3-(2-ketopyrrolidino)propyl]-N-[3-(methylthio)benzyl]nipecotamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CNC(=O)C2CCC(=O)N(C2)CCCN3CCCC3=O

Isomeric SMILES

CSC1=CC=CC(=C1)CNC(=O)C2CCC(=O)N(C2)CCCN3CCCC3=O

InChI

InChI=1S/C21H29N3O3S/c1-28-18-6-2-5-16(13-18)14-22-21(27)17-8-9-20(26)24(15-17)12-4-11-23-10-3-7-19(23)25/h2,5-6,13,17H,3-4,7-12,14-15H2,1H3,(H,22,27)