4-[2-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylethanoyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[2-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylethanoyl]piperazine-1-carbaldehyde Openeye Name: 4-[2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylacetyl]piperazine-1-carbaldehyde CAS Name: 4-[1-oxo-2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-2-quinazolinyl]thio]ethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylacetyl]piperazine-1-carbaldehyde Traditional Name: 4-[2-[[4-keto-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]thio]acetyl]piperazine-1-carbaldehyde Formula: C22H19F3N4O3S MolecularWeight: 476.47147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C=O)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H19F3N4O3S/c23-22(24,25)15-4-3-5-16(12-15)29-20(32)17-6-1-2-7-18(17)26-21(29)33-13-19(31)28-10-8-27(14-30)9-11-28/h1-7,12,14H,8-11,13H2