3-[2-chloranyl-5-(trifluoromethyl)phenyl]-7-piperidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-chloranyl-5-(trifluoromethyl)phenyl]-7-piperidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(piperidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-[oxo(1-piperidinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(piperidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(piperidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C21H17ClF3N3O2S MolecularWeight: 467.89179

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)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

C1CCN(CC1)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/C21H17ClF3N3O2S/c22-15-7-5-13(21(23,24)25)11-17(15)28-19(30)14-6-4-12(10-16(14)26-20(28)31)18(29)27-8-2-1-3-9-27/h4-7,10-11H,1-3,8-9H2,(H,26,31)