2-[3-chloranyl-4-(5-chloranyl-8-ethoxy-quinolin-7-yl)sulfanyl-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: 2-[3-chloranyl-4-(5-chloranyl-8-ethoxy-quinolin-7-yl)sulfanyl-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[3-chloro-4-[(5-chloro-8-ethoxy-7-quinolyl)sulfanyl]phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[3-chloro-4-[(5-chloro-8-ethoxy-7-quinolinyl)thio]phenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[3-chloro-4-(5-chloro-8-ethoxyquinolin-7-yl)sulfanylphenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[3-chloro-4-[(5-chloro-8-ethoxy-7-quinolyl)thio]phenyl]prop-2-en-1-one Formula: C26H25Cl2N3O3S MolecularWeight: 530.466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C=C1SC3=C(C=C(C=C3)C(=C)C(=O)N4CCN(CC4)C(=O)C)Cl)Cl)C=CC=N2

Isomeric SMILES

CCOC1=C2C(=C(C=C1SC3=C(C=C(C=C3)C(=C)C(=O)N4CCN(CC4)C(=O)C)Cl)Cl)C=CC=N2

InChI

InChI=1S/C26H25Cl2N3O3S/c1-4-34-25-23(15-20(27)19-6-5-9-29-24(19)25)35-22-8-7-18(14-21(22)28)16(2)26(33)31-12-10-30(11-13-31)17(3)32/h5-9,14-15H,2,4,10-13H2,1,3H3