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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H27N3O4S/c1-3-4-5-8-13-27-23(29)18-9-6-7-10-19(18)26-24(27)32-16(2)22(28)25-17-11-12-20-21(14-17)31-15-30-20/h6-7,9-12,14,16H,3-5,8,13,15H2,1-2H3,(H,25,28)