4-[[2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide

Systemtic Name: 4-[[2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide Openeye Name: 4-[[2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]methyl]-N-(2-furylmethyl)cyclohexanecarboxamide CAS Name: 4-[[2-[(4-chlorophenyl)methylthio]-4-oxo-3-quinazolinyl]methyl]-N-(2-furanylmethyl)-1-cyclohexanecarboxamide IUPAC Name: 4-[[2-[(4-chlorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide Traditional Name: 4-[[2-[(4-chlorobenzyl)thio]-4-keto-quinazolin-3-yl]methyl]-N-(2-furfuryl)cyclohexanecarboxamide Formula: C28H28ClN3O3S MolecularWeight: 522.05822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)Cl)C(=O)NCC5=CC=CO5

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)Cl)C(=O)NCC5=CC=CO5

InChI

InChI=1S/C28H28ClN3O3S/c29-22-13-9-20(10-14-22)18-36-28-31-25-6-2-1-5-24(25)27(34)32(28)17-19-7-11-21(12-8-19)26(33)30-16-23-4-3-15-35-23/h1-6,9-10,13-15,19,21H,7-8,11-12,16-18H2,(H,30,33)