4-(3-cyano-6,7-dimethyl-quinolin-2-yl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(3-cyano-6,7-dimethyl-quinolin-2-yl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-(3-cyano-6,7-dimethyl-2-quinolyl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(3-cyano-6,7-dimethyl-2-quinolinyl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(3-cyano-6,7-dimethylquinolin-2-yl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(3-cyano-6,7-dimethyl-2-quinolyl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carbothioamide Formula: C23H31N5OS MolecularWeight: 425.59014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C=C2C#N)C)C

Isomeric SMILES

CCOCCCNC(=S)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C=C2C#N)C)C

InChI

InChI=1S/C23H31N5OS/c1-4-29-12-5-7-25-23(30)28-9-6-8-27(10-11-28)22-20(16-24)15-19-13-17(2)18(3)14-21(19)26-22/h13-15H,4-12H2,1-3H3,(H,25,30)