1-[[3-(2,5-dimethoxyphenyl)-4-oxidanylidene-2-sulfanylidene-4aH-quinazolin-7-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: 1-[[3-(2,5-dimethoxyphenyl)-4-oxidanylidene-2-sulfanylidene-4aH-quinazolin-7-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[3-(2,5-dimethoxyphenyl)-4-oxo-2-thioxo-4aH-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-4aH-quinazolin-7-yl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-4aH-quinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-(2,5-dimethoxyphenyl)-4-keto-2-thioxo-4aH-quinazoline-7-carbonyl]isonipecotamide Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=O)C3C=CC(=CC3=NC2=S)C(=O)N4CCC(CC4)C(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)C3C=CC(=CC3=NC2=S)C(=O)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C23H24N4O5S/c1-31-15-4-6-19(32-2)18(12-15)27-22(30)16-5-3-14(11-17(16)25-23(27)33)21(29)26-9-7-13(8-10-26)20(24)28/h3-6,11-13,16H,7-10H2,1-2H3,(H2,24,28)