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

Systemtic Name: N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]piperidine-1-carbothioamide Openeye Name: N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]piperidine-1-carbothioamide CAS Name: N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-1-piperidinecarbothioamide IUPAC Name: N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]piperidine-1-carbothioamide Traditional Name: N-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]piperidine-1-carbothioamide Formula: C21H29N5S MolecularWeight: 383.55346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)N3CCCCC3)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)N3CCCCC3)N4CCN(CC4)C

InChI

InChI=1S/C21H29N5S/c1-16-14-20(25-12-10-24(2)11-13-25)23-19-7-6-17(15-18(16)19)22-21(27)26-8-4-3-5-9-26/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,22,27)