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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-piperonyl-propionamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H29N3O4S/c1-3-4-5-8-13-28-24(30)19-9-6-7-10-20(19)27-25(28)33-17(2)23(29)26-15-18-11-12-21-22(14-18)32-16-31-21/h6-7,9-12,14,17H,3-5,8,13,15-16H2,1-2H3,(H,26,29)