2-(4-methylquinolin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-1-(4-phenylpiperazino)propan-1-one Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c1-17-16-22(24-21-11-7-6-10-20(17)21)28-18(2)23(27)26-14-12-25(13-15-26)19-8-4-3-5-9-19/h3-11,16,18H,12-15H2,1-2H3