3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-chloro-4-fluorophenyl)-4-oxo-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-chloro-4-fluorophenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-4-keto-N-[3-(2-ketopyrrolidino)propyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H20ClFN4O3S MolecularWeight: 474.935603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H20ClFN4O3S/c23-16-12-14(5-7-17(16)24)28-21(31)15-6-4-13(11-18(15)26-22(28)32)20(30)25-8-2-10-27-9-1-3-19(27)29/h4-7,11-12H,1-3,8-10H2,(H,25,30)(H,26,32)