3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]propanamide

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]propanamide Openeye Name: 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl]propanamide CAS Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl]propanamide IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl]propionamide Formula: C22H22F3N5O2S MolecularWeight: 477.50259

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H22F3N5O2S/c23-22(24,25)14-5-6-18(26-13-14)29-10-7-15(8-11-29)27-19(31)9-12-30-20(32)16-3-1-2-4-17(16)28-21(30)33/h1-6,13,15H,7-12H2,(H,27,31)(H,28,33)