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

Systemtic Name: 4-(3-cyano-7-methyl-quinolin-2-yl)-N-[3-(dimethylamino)propyl]-1,4-diazepane-1-carbothioamide Openeye Name: 4-(3-cyano-7-methyl-2-quinolyl)-N-[3-(dimethylamino)propyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-(3-cyano-7-methyl-2-quinolinyl)-N-[3-(dimethylamino)propyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(3-cyano-7-methylquinolin-2-yl)-N-[3-(dimethylamino)propyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-(3-cyano-7-methyl-2-quinolyl)-N-[3-(dimethylamino)propyl]-1,4-diazepane-1-carbothioamide Formula: C22H30N6S MolecularWeight: 410.5788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=S)NCCCN(C)C)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=S)NCCCN(C)C)C#N

InChI

InChI=1S/C22H30N6S/c1-17-6-7-18-15-19(16-23)21(25-20(18)14-17)27-10-5-11-28(13-12-27)22(29)24-8-4-9-26(2)3/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,24,29)