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

Systemtic Name: 2-[3-(phenylmethyl)quinoxalin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-(3-benzylquinoxalin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[3-(phenylmethyl)-2-quinoxalinyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-(3-benzylquinoxalin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(3-benzylquinoxalin-2-yl)thio]-1-(4-phenylpiperazino)ethanone Formula: C27H26N4OS MolecularWeight: 454.58654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4N=C3CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4N=C3CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4OS/c32-26(31-17-15-30(16-18-31)22-11-5-2-6-12-22)20-33-27-25(19-21-9-3-1-4-10-21)28-23-13-7-8-14-24(23)29-27/h1-14H,15-20H2