(E)-1-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-3-(6-methylsulfanylquinolin-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-3-(6-methylsulfanylquinolin-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(6-methylsulfanyl-2-quinolyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]-3-[6-(methylthio)-2-quinolinyl]-2-propen-1-one IUPAC Name: (E)-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(6-methylsulfanylquinolin-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[6-(methylthio)-2-quinolyl]prop-2-en-1-one Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)C=CC3=NC4=C(C=C3)C=C(C=C4)SC

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=NC4=C(C=C3)C=C(C=C4)SC

InChI

InChI=1S/C25H25N3O2S/c1-27-13-15-28(16-14-27)25(30)19-5-3-18(4-6-19)24(29)12-9-21-8-7-20-17-22(31-2)10-11-23(20)26-21/h3-12,17H,13-16H2,1-2H3/b12-9+