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

Systemtic Name: N,N-dicyclohexyl-2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N,N-dicyclohexyl-2-(6-fluoro-2-phenyl-quinazolin-4-yl)sulfanyl-acetamide CAS Name: N,N-dicyclohexyl-2-[(6-fluoro-2-phenyl-4-quinazolinyl)thio]acetamide IUPAC Name: N,N-dicyclohexyl-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide Traditional Name: N,N-dicyclohexyl-2-[(6-fluoro-2-phenyl-quinazolin-4-yl)thio]acetamide Formula: C28H32FN3OS MolecularWeight: 477.636583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32FN3OS/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