7-azanyl-3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-azanyl-3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-amino-3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-amino-3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-amino-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-amino-3-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H23FN4O2S MolecularWeight: 426.507023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=C(C=C(C=C4)N)NC3=S

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=C(C=C(C=C4)N)NC3=S

InChI

InChI=1S/C22H23FN4O2S/c23-16-3-1-14(2-4-16)20(28)15-7-9-26(10-8-15)11-12-27-21(29)18-6-5-17(24)13-19(18)25-22(27)30/h1-6,13,15H,7-12,24H2,(H,25,30)