N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NCCCN3CCC4=CC=CC=C4C3

Isomeric SMILES

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NCCCN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H29N3O2S/c1-30-22-9-4-8-21(15-22)27-17-20(14-23(27)28)24(29)25-11-5-12-26-13-10-18-6-2-3-7-19(18)16-26/h2-4,6-9,15,20H,5,10-14,16-17H2,1H3,(H,25,29)