N-[(4-methylphenyl)methyl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide Openeye Name: N-(p-tolylmethyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[3-(1-pyrrolidinyl)-2-quinoxalinyl]thio]acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide Traditional Name: N-(4-methylbenzyl)-2-[(3-pyrrolidinoquinoxalin-2-yl)thio]acetamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCC4

InChI

InChI=1S/C22H24N4OS/c1-16-8-10-17(11-9-16)14-23-20(27)15-28-22-21(26-12-4-5-13-26)24-18-6-2-3-7-19(18)25-22/h2-3,6-11H,4-5,12-15H2,1H3,(H,23,27)