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

Systemtic Name: N-methyl-3-[(2S)-2-[(4-methylsulfanylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]-N-(quinoxalin-6-ylmethyl)propanamide Openeye Name: N-methyl-3-[(2S)-2-[(4-methylsulfanylphenyl)methyl]-5-oxo-pyrrolidin-2-yl]-N-(quinoxalin-6-ylmethyl)propanamide CAS Name: N-methyl-3-[(2S)-2-[[4-(methylthio)phenyl]methyl]-5-oxo-2-pyrrolidinyl]-N-(6-quinoxalinylmethyl)propanamide IUPAC Name: N-methyl-3-[(2S)-2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinoxalin-6-ylmethyl)propanamide Traditional Name: 3-[(2S)-5-keto-2-[4-(methylthio)benzyl]pyrrolidin-2-yl]-N-methyl-N-(quinoxalin-6-ylmethyl)propionamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=NC=CN=C2C=C1)C(=O)CCC3(CCC(=O)N3)CC4=CC=C(C=C4)SC

Isomeric SMILES

CN(CC1=CC2=NC=CN=C2C=C1)C(=O)CC[C@@]3(CCC(=O)N3)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C25H28N4O2S/c1-29(17-19-5-8-21-22(15-19)27-14-13-26-21)24(31)10-12-25(11-9-23(30)28-25)16-18-3-6-20(32-2)7-4-18/h3-8,13-15H,9-12,16-17H2,1-2H3,(H,28,30)/t25-/m0/s1