2-(7-methoxy-3-phenyl-quinolin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-(7-methoxy-3-phenyl-quinolin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[(7-methoxy-3-phenyl-2-quinolyl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[(7-methoxy-3-phenyl-2-quinolinyl)thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-(7-methoxy-3-phenylquinolin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(7-methoxy-3-phenyl-2-quinolyl)thio]-1-(4-phenylpiperazino)ethanone Formula: C28H27N3O2S MolecularWeight: 469.59788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C3=CC=CC=C3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)C3=CC=CC=C3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O2S/c1-33-24-13-12-22-18-25(21-8-4-2-5-9-21)28(29-26(22)19-24)34-20-27(32)31-16-14-30(15-17-31)23-10-6-3-7-11-23/h2-13,18-19H,14-17,20H2,1H3