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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(7-chloro-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(7-chloro-4-oxo-3-pentyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-amyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-piperonyl-propionamide Formula: C24H26ClN3O4S MolecularWeight: 487.99894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H26ClN3O4S/c1-3-4-5-10-28-23(30)18-8-7-17(25)12-19(18)27-24(28)33-15(2)22(29)26-13-16-6-9-20-21(11-16)32-14-31-20/h6-9,11-12,15H,3-5,10,13-14H2,1-2H3,(H,26,29)