N-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]-2-(4-pyridylthio)acetamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)CSC4=CC=NC=C4)C(=C2)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)CSC4=CC=NC=C4)C(=C2)C

InChI

InChI=1S/C23H27N5OS/c1-3-27-10-12-28(13-11-27)22-14-17(2)20-15-18(4-5-21(20)26-22)25-23(29)16-30-19-6-8-24-9-7-19/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,25,29)