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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(4-keto-3-propyl-quinazolin-2-yl)thio]propionamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4S/c1-3-10-24-20(26)15-6-4-5-7-16(15)23-21(24)29-13(2)19(25)22-14-8-9-17-18(11-14)28-12-27-17/h4-9,11,13H,3,10,12H2,1-2H3,(H,22,25)