N-(1,3-benzodioxol-5-yl)-2-(6-ethyl-3-methyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(6-ethyl-3-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(6-ethyl-3-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(6-ethyl-3-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(6-ethyl-3-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(6-ethyl-3-methyl-2-quinolyl)thio]acetamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-3-14-4-6-17-15(9-14)8-13(2)21(23-17)27-11-20(24)22-16-5-7-18-19(10-16)26-12-25-18/h4-10H,3,11-12H2,1-2H3,(H,22,24)