N,N-dicyclohexyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N,N-dicyclohexyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N,N-dicyclohexyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N,N-dicyclohexyl-2-[[6-ethyl-2-(4-fluorophenyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N,N-dicyclohexyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N,N-dicyclohexyl-2-[[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]thio]acetamide Formula: C30H36FN3OS MolecularWeight: 505.689743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)N(C3CCCCC3)C4CCCCC4)C5=CC=C(C=C5)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)N(C3CCCCC3)C4CCCCC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H36FN3OS/c1-2-21-13-18-27-26(19-21)30(33-29(32-27)22-14-16-23(31)17-15-22)36-20-28(35)34(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h13-19,24-25H,2-12,20H2,1H3