N-(1,3-benzodioxol-5-ylmethyl)-2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]-N-piperonyl-propionamide Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22ClN3O4S/c1-3-8-26-21(28)16-6-5-15(23)10-17(16)25-22(26)31-13(2)20(27)24-11-14-4-7-18-19(9-14)30-12-29-18/h4-7,9-10,13H,3,8,11-12H2,1-2H3,(H,24,27)