3-ethyl-2-sulfanylidene-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-1H-quinazolin-4-one

Systemtic Name: 3-ethyl-2-sulfanylidene-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-1H-quinazolin-4-one Openeye Name: 3-ethyl-2-thioxo-7-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1H-quinazolin-4-one CAS Name: 3-ethyl-7-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-ethyl-2-sulfanylidene-7-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1H-quinazolin-4-one Traditional Name: 3-ethyl-2-thioxo-7-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1H-quinazolin-4-one Formula: C22H21F3N4O2S MolecularWeight: 462.48795

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)NC1=S

InChI

InChI=1S/C22H21F3N4O2S/c1-2-29-20(31)17-7-6-14(12-18(17)26-21(29)32)19(30)28-10-8-27(9-11-28)16-5-3-4-15(13-16)22(23,24)25/h3-7,12-13H,2,8-11H2,1H3,(H,26,32)