[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C24H25N3O6S MolecularWeight: 483.5368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H25N3O6S/c1-15(2)9-10-27-23(30)17-5-3-4-6-18(17)26-24(27)34-13-22(29)31-12-21(28)25-16-7-8-19-20(11-16)33-14-32-19/h3-8,11,15H,9-10,12-14H2,1-2H3,(H,25,28)