2-[3-[(3-methoxyphenyl)methyl]quinoxalin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[3-[(3-methoxyphenyl)methyl]quinoxalin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[3-[(3-methoxyphenyl)methyl]quinoxalin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[3-[(3-methoxyphenyl)methyl]-2-quinoxalinyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[3-[(3-methoxyphenyl)methyl]quinoxalin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(3-m-anisylquinoxalin-2-yl)thio]-1-(4-phenylpiperazino)ethanone Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=NC3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)CC2=NC3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2S/c1-34-23-11-7-8-21(18-23)19-26-28(30-25-13-6-5-12-24(25)29-26)35-20-27(33)32-16-14-31(15-17-32)22-9-3-2-4-10-22/h2-13,18H,14-17,19-20H2,1H3