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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: 3-(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-piperonyl-propionamide Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O6S/c1-3-29-19-10-15-16(11-20(19)30-4-2)25-23(33)26(22(15)28)8-7-21(27)24-12-14-5-6-17-18(9-14)32-13-31-17/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3,(H,24,27)(H,25,33)