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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H25N3O4S/c1-14(2)10-11-26-22(28)17-6-4-5-7-18(17)25-23(26)31-15(3)21(27)24-16-8-9-19-20(12-16)30-13-29-19/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,24,27)