ethyl 4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperazine-1-carboxylate Traditional Name: 4-(4-keto-3-piperonyl-2-thioxo-1H-quinazoline-7-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C24H24N4O6S MolecularWeight: 496.53556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H24N4O6S/c1-2-32-24(31)27-9-7-26(8-10-27)21(29)16-4-5-17-18(12-16)25-23(35)28(22(17)30)13-15-3-6-19-20(11-15)34-14-33-19/h3-6,11-12H,2,7-10,13-14H2,1H3,(H,25,35)