N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-acetamide CAS Name: N-(4-chlorophenyl)-2-[[3-(1-pyrrolidinyl)-2-quinoxalinyl]thio]acetamide IUPAC Name: N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide Traditional Name: N-(4-chlorophenyl)-2-[(3-pyrrolidinoquinoxalin-2-yl)thio]acetamide Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C2=NC3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H19ClN4OS/c21-14-7-9-15(10-8-14)22-18(26)13-27-20-19(25-11-3-4-12-25)23-16-5-1-2-6-17(16)24-20/h1-2,5-10H,3-4,11-13H2,(H,22,26)