N-(1,3-benzodioxol-5-yl)-2-(3-ethyl-7-methoxy-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-ethyl-7-methoxy-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-ethyl-7-methoxy-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-ethyl-7-methoxy-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-ethyl-7-methoxy-2-quinolyl)thio]acetamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C=C(C=CC2=C1)OC)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=C(N=C2C=C(C=CC2=C1)OC)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O4S/c1-3-13-8-14-4-6-16(25-2)10-17(14)23-21(13)28-11-20(24)22-15-5-7-18-19(9-15)27-12-26-18/h4-10H,3,11-12H2,1-2H3,(H,22,24)