N-(1,3-benzodioxol-5-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=CC4=C(C=C3)OCO4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=CC4=C(C=C3)OCO4)C)C

InChI

InChI=1S/C22H22N2O3S/c1-12-7-14(3)21-17(8-12)13(2)9-20(24-21)28-15(4)22(25)23-16-5-6-18-19(10-16)27-11-26-18/h5-10,15H,11H2,1-4H3,(H,23,25)