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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]-N-piperonyl-propionamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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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)N3C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O4S/c1-16(23(29)26-14-17-11-12-21-22(13-17)32-15-31-21)33-25-27-20-10-6-5-9-19(20)24(30)28(25)18-7-3-2-4-8-18/h2-13,16H,14-15H2,1H3,(H,26,29)