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

Systemtic Name: 4-(3-cyano-6-ethoxy-quinolin-2-yl)-N-(4-fluorophenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-(3-cyano-6-ethoxy-2-quinolyl)-N-(4-fluorophenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(3-cyano-6-ethoxy-2-quinolinyl)-N-(4-fluorophenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(3-cyano-6-ethoxyquinolin-2-yl)-N-(4-fluorophenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(3-cyano-6-ethoxy-2-quinolyl)-N-(4-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=C(C=C4)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCN(CC3)C(=S)NC4=CC=C(C=C4)F

InChI

InChI=1S/C24H24FN5OS/c1-2-31-21-8-9-22-17(15-21)14-18(16-26)23(28-22)29-10-3-11-30(13-12-29)24(32)27-20-6-4-19(25)5-7-20/h4-9,14-15H,2-3,10-13H2,1H3,(H,27,32)