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

Systemtic Name: N-(phenylmethyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide Openeye Name: N-benzyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-acetamide CAS Name: N-(phenylmethyl)-2-[[3-(1-pyrrolidinyl)-2-quinoxalinyl]thio]acetamide IUPAC Name: N-benzyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide Traditional Name: N-benzyl-2-[(3-pyrrolidinoquinoxalin-2-yl)thio]acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4OS/c26-19(22-14-16-8-2-1-3-9-16)15-27-21-20(25-12-6-7-13-25)23-17-10-4-5-11-18(17)24-21/h1-5,8-11H,6-7,12-15H2,(H,22,26)