4-(3-cyano-6-ethoxy-quinolin-2-yl)-N-(2-fluorophenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(3-cyano-6-ethoxy-quinolin-2-yl)-N-(2-fluorophenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-(3-cyano-6-ethoxy-2-quinolyl)-N-(2-fluorophenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(3-cyano-6-ethoxy-2-quinolinyl)-N-(2-fluorophenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(3-cyano-6-ethoxyquinolin-2-yl)-N-(2-fluorophenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(3-cyano-6-ethoxy-2-quinolyl)-N-(2-fluorophenyl)-1,4-diazepane-1-carbothioamide Formula: C24H24FN5OS MolecularWeight: 449.543663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCN(CC3)C(=S)NC4=CC=CC=C4F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCN(CC3)C(=S)NC4=CC=CC=C4F

InChI

InChI=1S/C24H24FN5OS/c1-2-31-19-8-9-21-17(15-19)14-18(16-26)23(27-21)29-10-5-11-30(13-12-29)24(32)28-22-7-4-3-6-20(22)25/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H,28,32)