N-(1,3-benzodioxol-5-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3,5,7-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3,5,7-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3,5,7-trimethyl-2-quinolyl)thio]acetamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C(=C1)C)C)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C(=C1)C)C)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

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