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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-1H-quinazolin-2-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]propanamide Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)thio]-N-piperonyl-propionamide Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C19H17N3O4S/c1-11(27-19-21-14-5-3-2-4-13(14)18(24)22-19)17(23)20-9-12-6-7-15-16(8-12)26-10-25-15/h2-8,11H,9-10H2,1H3,(H,20,23)(H,21,22,24)