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

Systemtic Name: N-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]piperidine-1-carbothioamide Openeye Name: N-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]piperidine-1-carbothioamide CAS Name: N-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-1-piperidinecarbothioamide IUPAC Name: N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]piperidine-1-carbothioamide Traditional Name: N-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]piperidine-1-carbothioamide Formula: C22H31N5S MolecularWeight: 397.58004

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N4CCCCC4)C(=C2)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N4CCCCC4)C(=C2)C

InChI

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