N-(3-chloranyl-4-fluoranyl-phenyl)-2-spiro[1H-quinazoline-2,1'-cyclohexane]-4-ylsulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-spiro[1H-quinazoline-2,1'-cyclohexane]-4-ylsulfanyl-ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-spiro[1H-quinazoline-2,1'-cyclohexane]-4-ylsulfanyl-acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-(4-spiro[1H-quinazoline-2,1'-cyclohexane]ylthio)acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-spiro[1H-quinazoline-2,1'-cyclohexane]-4-ylsulfanylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-(spiro[1H-quinazoline-2,1'-cyclohexane]-4-ylthio)acetamide Formula: C21H21ClFN3OS MolecularWeight: 417.927343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)NC3=CC=CC=C3C(=N2)SCC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CCC2(CC1)NC3=CC=CC=C3C(=N2)SCC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H21ClFN3OS/c22-16-12-14(8-9-17(16)23)24-19(27)13-28-20-15-6-2-3-7-18(15)25-21(26-20)10-4-1-5-11-21/h2-3,6-9,12,25H,1,4-5,10-11,13H2,(H,24,27)