3-(1,3-benzodioxol-5-ylmethyl)-7-piperidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-piperidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(piperidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[oxo(1-piperidinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(piperidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(piperidine-1-carbonyl)-3-piperonyl-2-thioxo-1H-quinazolin-4-one Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21N3O4S/c26-20(24-8-2-1-3-9-24)15-5-6-16-17(11-15)23-22(30)25(21(16)27)12-14-4-7-18-19(10-14)29-13-28-18/h4-7,10-11H,1-3,8-9,12-13H2,(H,23,30)