2-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanyl-N,N-dicyclohexyl-ethanamide

Systemtic Name: 2-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanyl-N,N-dicyclohexyl-ethanamide Openeye Name: 2-(6-chloro-2-phenyl-quinazolin-4-yl)sulfanyl-N,N-dicyclohexyl-acetamide CAS Name: 2-[(6-chloro-2-phenyl-4-quinazolinyl)thio]-N,N-dicyclohexylacetamide IUPAC Name: 2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N,N-dicyclohexylacetamide Traditional Name: 2-[(6-chloro-2-phenyl-quinazolin-4-yl)thio]-N,N-dicyclohexyl-acetamide Formula: C28H32ClN3OS MolecularWeight: 494.09118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NC(=NC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NC(=NC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H32ClN3OS/c29-21-16-17-25-24(18-21)28(31-27(30-25)20-10-4-1-5-11-20)34-19-26(33)32(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1,4-5,10-11,16-18,22-23H,2-3,6-9,12-15,19H2