N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(4-keto-3-methyl-quinazolin-2-yl)thio]-N-piperonyl-propionamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C20H19N3O4S/c1-12(18(24)21-10-13-7-8-16-17(9-13)27-11-26-16)28-20-22-15-6-4-3-5-14(15)19(25)23(20)2/h3-9,12H,10-11H2,1-2H3,(H,21,24)