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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(4-keto-3-propyl-quinazolin-2-yl)thio]-N-piperonyl-propionamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N3O4S/c1-3-10-25-21(27)16-6-4-5-7-17(16)24-22(25)30-14(2)20(26)23-12-15-8-9-18-19(11-15)29-13-28-18/h4-9,11,14H,3,10,12-13H2,1-2H3,(H,23,26)