1-[[3-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: 1-[[3-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-[2-chloro-5-(trifluoromethyl)phenyl]-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]isonipecotamide Formula: C22H18ClF3N4O3S MolecularWeight: 510.91653

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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=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClF3N4O3S/c23-15-4-2-13(22(24,25)26)10-17(15)30-20(33)14-3-1-12(9-16(14)28-21(30)34)19(32)29-7-5-11(6-8-29)18(27)31/h1-4,9-11H,5-8H2,(H2,27,31)(H,28,34)