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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCC4

InChI

InChI=1S/C21H22N4OS/c1-15-7-6-8-16(13-15)22-19(26)14-27-21-20(25-11-4-5-12-25)23-17-9-2-3-10-18(17)24-21/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,22,26)