4-[[2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide

Systemtic Name: 4-[[2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide Openeye Name: 4-[[2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide CAS Name: 4-[[2-[(2-fluorophenyl)methylthio]-4-oxo-3-quinazolinyl]methyl]-N-phenethyl-1-cyclohexanecarboxamide IUPAC Name: 4-[[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]-N-phenethylcyclohexane-1-carboxamide Traditional Name: 4-[[2-[(2-fluorobenzyl)thio]-4-keto-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide Formula: C31H32FN3O2S MolecularWeight: 529.668083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4F)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4F)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C31H32FN3O2S/c32-27-12-6-4-10-25(27)21-38-31-34-28-13-7-5-11-26(28)30(37)35(31)20-23-14-16-24(17-15-23)29(36)33-19-18-22-8-2-1-3-9-22/h1-13,23-24H,14-21H2,(H,33,36)