1-[4-chloranyl-2,5-bis(fluoranyl)phenyl]carbonyl-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)piperidine-4-carboxamide

Systemtic Name: 1-[4-chloranyl-2,5-bis(fluoranyl)phenyl]carbonyl-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)piperidine-4-carboxamide Openeye Name: 1-(4-chloro-2,5-difluoro-benzoyl)-N-(4-oxo-2-thioxo-1H-quinazolin-3-yl)piperidine-4-carboxamide CAS Name: 1-[(4-chloro-2,5-difluorophenyl)-oxomethyl]-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-4-piperidinecarboxamide IUPAC Name: 1-(4-chloro-2,5-difluorobenzoyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)piperidine-4-carboxamide Traditional Name: 1-(4-chloro-2,5-difluoro-benzoyl)-N-(4-keto-2-thioxo-1H-quinazolin-3-yl)isonipecotamide Formula: C21H17ClF2N4O3S MolecularWeight: 478.899486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NN2C(=O)C3=CC=CC=C3NC2=S)C(=O)C4=CC(=C(C=C4F)Cl)F

Isomeric SMILES

C1CN(CCC1C(=O)NN2C(=O)C3=CC=CC=C3NC2=S)C(=O)C4=CC(=C(C=C4F)Cl)F

InChI

InChI=1S/C21H17ClF2N4O3S/c22-14-10-15(23)13(9-16(14)24)19(30)27-7-5-11(6-8-27)18(29)26-28-20(31)12-3-1-2-4-17(12)25-21(28)32/h1-4,9-11H,5-8H2,(H,25,32)(H,26,29)