1-[[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: 1-[[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-(3-chloro-4-fluoro-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]isonipecotamide Formula: C21H18ClFN4O3S MolecularWeight: 460.909023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H18ClFN4O3S/c22-15-10-13(2-4-16(15)23)27-20(30)14-3-1-12(9-17(14)25-21(27)31)19(29)26-7-5-11(6-8-26)18(24)28/h1-4,9-11H,5-8H2,(H2,24,28)(H,25,31)