2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexyl-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N-cyclohexyl-4-oxo-3-phenyl-7-quinazolinecarboxamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexyl-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: 2-[(3-chlorobenzyl)thio]-N-cyclohexyl-4-keto-3-phenyl-quinazoline-7-carboxamide Formula: C28H26ClN3O2S MolecularWeight: 504.04294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H26ClN3O2S/c29-21-9-7-8-19(16-21)18-35-28-31-25-17-20(26(33)30-22-10-3-1-4-11-22)14-15-24(25)27(34)32(28)23-12-5-2-6-13-23/h2,5-9,12-17,22H,1,3-4,10-11,18H2,(H,30,33)