3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]-N-(quinolin-6-ylmethyl)propanamide

Systemtic Name: 3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]-N-(quinolin-6-ylmethyl)propanamide Openeye Name: 3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxo-pyrrolidin-2-yl]-N-(6-quinolylmethyl)propanamide CAS Name: 3-[2-[[4-(methylthio)phenyl]methyl]-5-oxo-2-pyrrolidinyl]-N-(6-quinolinylmethyl)propanamide IUPAC Name: 3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-6-ylmethyl)propanamide Traditional Name: 3-[5-keto-2-[4-(methylthio)benzyl]pyrrolidin-2-yl]-N-(6-quinolylmethyl)propionamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC2(CCC(=O)N2)CCC(=O)NCC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)CC2(CCC(=O)N2)CCC(=O)NCC3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C25H27N3O2S/c1-31-21-7-4-18(5-8-21)16-25(13-11-24(30)28-25)12-10-23(29)27-17-19-6-9-22-20(15-19)3-2-14-26-22/h2-9,14-15H,10-13,16-17H2,1H3,(H,27,29)(H,28,30)