4-(3-cyano-5,7-dimethyl-quinolin-2-yl)-N-[3-(dimethylamino)propyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(3-cyano-5,7-dimethyl-quinolin-2-yl)-N-[3-(dimethylamino)propyl]-1,4-diazepane-1-carbothioamide Openeye Name: 4-(3-cyano-5,7-dimethyl-2-quinolyl)-N-[3-(dimethylamino)propyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-(3-cyano-5,7-dimethyl-2-quinolinyl)-N-[3-(dimethylamino)propyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(3-cyano-5,7-dimethylquinolin-2-yl)-N-[3-(dimethylamino)propyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-(3-cyano-5,7-dimethyl-2-quinolyl)-N-[3-(dimethylamino)propyl]-1,4-diazepane-1-carbothioamide Formula: C23H32N6S MolecularWeight: 424.60538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=S)NCCCN(C)C)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=S)NCCCN(C)C)C#N)C

InChI

InChI=1S/C23H32N6S/c1-17-13-18(2)20-15-19(16-24)22(26-21(20)14-17)28-9-6-10-29(12-11-28)23(30)25-7-5-8-27(3)4/h13-15H,5-12H2,1-4H3,(H,25,30)