N-(1,3-benzodioxol-5-ylmethyl)-4-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Traditional Name: 4-(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-piperonyl-butyramide Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)NCC3=CC4=C(C=C3)OCO4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)NCC3=CC4=C(C=C3)OCO4)OCC

InChI

InChI=1S/C24H27N3O6S/c1-3-30-20-11-16-17(12-21(20)31-4-2)26-24(34)27(23(16)29)9-5-6-22(28)25-13-15-7-8-18-19(10-15)33-14-32-18/h7-8,10-12H,3-6,9,13-14H2,1-2H3,(H,25,28)(H,26,34)