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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-piperonyl-propionamide Formula: C26H23N3O4S MolecularWeight: 473.54352

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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)N3CC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C26H23N3O4S/c1-17(24(30)27-14-19-11-12-22-23(13-19)33-16-32-22)34-26-28-21-10-6-5-9-20(21)25(31)29(26)15-18-7-3-2-4-8-18/h2-13,17H,14-16H2,1H3,(H,27,30)