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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide Traditional Name: 4-[(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-piperonyl-benzamide Formula: C28H27N3O6S MolecularWeight: 533.59548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)OCC

InChI

InChI=1S/C28H27N3O6S/c1-3-34-24-12-20-21(13-25(24)35-4-2)30-28(38)31(27(20)33)15-17-5-8-19(9-6-17)26(32)29-14-18-7-10-22-23(11-18)37-16-36-22/h5-13H,3-4,14-16H2,1-2H3,(H,29,32)(H,30,38)