3-(1,3-benzodioxol-5-ylmethyl)-7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[oxo-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-piperonyl-2-thioxo-1H-quinazolin-4-one Formula: C28H23N3O4S MolecularWeight: 497.56492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H23N3O4S/c32-26(30-12-10-20(11-13-30)19-4-2-1-3-5-19)21-7-8-22-23(15-21)29-28(36)31(27(22)33)16-18-6-9-24-25(14-18)35-17-34-24/h1-10,14-15H,11-13,16-17H2,(H,29,36)