N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: 2-[(2-methylquinazolin-4-yl)thio]-N-piperonyl-acetamide Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17N3O3S/c1-12-21-15-5-3-2-4-14(15)19(22-12)26-10-18(23)20-9-13-6-7-16-17(8-13)25-11-24-16/h2-8H,9-11H2,1H3,(H,20,23)