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

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[[3-(1-pyrrolidinyl)-2-quinoxalinyl]thio]acetamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide Traditional Name: N-(4-fluorobenzyl)-2-[(3-pyrrolidinoquinoxalin-2-yl)thio]acetamide Formula: C21H21FN4OS MolecularWeight: 396.481043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=CC=CC=C3N=C2SCC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C2=NC3=CC=CC=C3N=C2SCC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4OS/c22-16-9-7-15(8-10-16)13-23-19(27)14-28-21-20(26-11-3-4-12-26)24-17-5-1-2-6-18(17)25-21/h1-2,5-10H,3-4,11-14H2,(H,23,27)