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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methyl-2-quinoxalinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-methylquinoxalin-2-yl)thio]-N-piperonyl-propionamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O3S/c1-12-20(23-16-6-4-3-5-15(16)22-12)27-13(2)19(24)21-10-14-7-8-17-18(9-14)26-11-25-17/h3-9,13H,10-11H2,1-2H3,(H,21,24)