N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-N-piperonyl-propionamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O3S/c1-13-9-20(23-17-6-4-3-5-16(13)17)27-14(2)21(24)22-11-15-7-8-18-19(10-15)26-12-25-18/h3-10,14H,11-12H2,1-2H3,(H,22,24)