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

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,4-dimethoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-acetamide CAS Name: N-(2,4-dimethoxyphenyl)-2-[[3-(1-pyrrolidinyl)-2-quinoxalinyl]thio]acetamide IUPAC Name: N-(2,4-dimethoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide Traditional Name: N-(2,4-dimethoxyphenyl)-2-[(3-pyrrolidinoquinoxalin-2-yl)thio]acetamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCC4)OC

InChI

InChI=1S/C22H24N4O3S/c1-28-15-9-10-18(19(13-15)29-2)23-20(27)14-30-22-21(26-11-5-6-12-26)24-16-7-3-4-8-17(16)25-22/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,23,27)