N-(1,3-benzodioxol-5-yl)-2-(3-ethyl-8-methyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-ethyl-8-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-ethyl-8-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-ethyl-8-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-ethyl-8-methyl-2-quinolyl)thio]acetamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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