3-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-oxidanylidene-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-oxidanylidene-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-N-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-4-keto-N-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H17ClF3N3O2S MolecularWeight: 503.92389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=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/C24H17ClF3N3O2S/c25-18-9-7-16(24(26,27)28)13-20(18)31-22(33)17-8-6-15(12-19(17)30-23(31)34)21(32)29-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,29,32)(H,30,34)