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

Systemtic Name: 4-[[2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide Openeye Name: 4-[[2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide CAS Name: 4-[[2-[(2-chloro-4-fluorophenyl)methylthio]-4-oxo-3-quinazolinyl]methyl]-N-phenethyl-1-cyclohexanecarboxamide IUPAC Name: 4-[[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]-N-phenethylcyclohexane-1-carboxamide Traditional Name: 4-[[2-[(2-chloro-4-fluoro-benzyl)thio]-4-keto-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide Formula: C31H31ClFN3O2S MolecularWeight: 564.113143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)F)Cl)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)F)Cl)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C31H31ClFN3O2S/c32-27-18-25(33)15-14-24(27)20-39-31-35-28-9-5-4-8-26(28)30(38)36(31)19-22-10-12-23(13-11-22)29(37)34-17-16-21-6-2-1-3-7-21/h1-9,14-15,18,22-23H,10-13,16-17,19-20H2,(H,34,37)