N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-quinoxalin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-quinoxalin-2-ylsulfanyl-ethanamide Openeye Name: N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-quinoxalin-2-ylsulfanyl-acetamide CAS Name: N-[[1-[(3,4-dichlorophenyl)methyl]-3-pyrrolidinyl]methyl]-2-(2-quinoxalinylthio)acetamide IUPAC Name: N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-quinoxalin-2-ylsulfanylacetamide Traditional Name: N-[[1-(3,4-dichlorobenzyl)pyrrolidin-3-yl]methyl]-2-(quinoxalin-2-ylthio)acetamide Formula: C22H22Cl2N4OS MolecularWeight: 461.40728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1CNC(=O)CSC2=NC3=CC=CC=C3N=C2)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CC1CNC(=O)CSC2=NC3=CC=CC=C3N=C2)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H22Cl2N4OS/c23-17-6-5-15(9-18(17)24)12-28-8-7-16(13-28)10-26-21(29)14-30-22-11-25-19-3-1-2-4-20(19)27-22/h1-6,9,11,16H,7-8,10,12-14H2,(H,26,29)