N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]azepane-1-carbothioamide

Systemtic Name: N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]azepane-1-carbothioamide Openeye Name: N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]azepane-1-carbothioamide CAS Name: N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-1-azepanecarbothioamide IUPAC Name: N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]azepane-1-carbothioamide Traditional Name: N-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]azepane-1-carbothioamide Formula: C22H31N5S MolecularWeight: 397.58004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)N3CCCCCC3)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)N3CCCCCC3)N4CCN(CC4)C

InChI

InChI=1S/C22H31N5S/c1-17-15-21(26-13-11-25(2)12-14-26)24-20-8-7-18(16-19(17)20)23-22(28)27-9-5-3-4-6-10-27/h7-8,15-16H,3-6,9-14H2,1-2H3,(H,23,28)