N-(1,3-benzodioxol-5-ylmethyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-morpholinoquinoxalin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(4-morpholinyl)-2-quinoxalinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-morpholinoquinoxalin-2-yl)thio]-N-piperonyl-acetamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=CC=CC=C3N=C2SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1C2=NC3=CC=CC=C3N=C2SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N4O4S/c27-20(23-12-15-5-6-18-19(11-15)30-14-29-18)13-31-22-21(26-7-9-28-10-8-26)24-16-3-1-2-4-17(16)25-22/h1-6,11H,7-10,12-14H2,(H,23,27)