1-[4-[7-methylsulfanyl-3-[(thiophen-2-ylmethylamino)methyl]quinolin-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[7-methylsulfanyl-3-[(thiophen-2-ylmethylamino)methyl]quinolin-2-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[7-methylsulfanyl-3-[(2-thienylmethylamino)methyl]-2-quinolyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[7-(methylthio)-3-[(thiophen-2-ylmethylamino)methyl]-2-quinolinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[7-methylsulfanyl-3-[(thiophen-2-ylmethylamino)methyl]quinolin-2-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[7-(methylthio)-3-[(2-thenylamino)methyl]-2-quinolyl]piperazino]ethanone Formula: C22H26N4OS2 MolecularWeight: 426.59804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=N2)SC)CNCC4=CC=CS4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=N2)SC)CNCC4=CC=CS4

InChI

InChI=1S/C22H26N4OS2/c1-16(27)25-7-9-26(10-8-25)22-18(14-23-15-20-4-3-11-29-20)12-17-5-6-19(28-2)13-21(17)24-22/h3-6,11-13,23H,7-10,14-15H2,1-2H3