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

Systemtic Name: N-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[3-(1-pyrrolidinyl)-2-quinoxalinyl]thio]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[(3-pyrrolidinoquinoxalin-2-yl)thio]acetamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4OS/c1-15-8-7-11-17(16(15)2)23-20(27)14-28-22-21(26-12-5-6-13-26)24-18-9-3-4-10-19(18)25-22/h3-4,7-11H,5-6,12-14H2,1-2H3,(H,23,27)