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

Systemtic Name: 7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one Openeye Name: 7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one CAS Name: 7-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one IUPAC Name: 7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one Traditional Name: 7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one Formula: C26H21F3N4O2S MolecularWeight: 510.53075

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C26H21F3N4O2S/c27-26(28,29)18-5-4-8-20(16-18)33-24(35)21-10-9-17(15-22(21)30-25(33)36)23(34)32-13-11-31(12-14-32)19-6-2-1-3-7-19/h1-10,15-16H,11-14H2,(H,30,36)