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

Systemtic Name: 4-[[2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]-N-(phenylmethyl)cyclohexane-1-carboxamide Openeye Name: N-benzyl-4-[[2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]methyl]cyclohexanecarboxamide CAS Name: 4-[[2-[(2-fluorophenyl)methylthio]-4-oxo-3-quinazolinyl]methyl]-N-(phenylmethyl)-1-cyclohexanecarboxamide IUPAC Name: N-benzyl-4-[[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide Traditional Name: N-benzyl-4-[[2-[(2-fluorobenzyl)thio]-4-keto-quinazolin-3-yl]methyl]cyclohexanecarboxamide Formula: C30H30FN3O2S MolecularWeight: 515.641503

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4F)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4F)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C30H30FN3O2S/c31-26-12-6-4-10-24(26)20-37-30-33-27-13-7-5-11-25(27)29(36)34(30)19-22-14-16-23(17-15-22)28(35)32-18-21-8-2-1-3-9-21/h1-13,22-23H,14-20H2,(H,32,35)