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

Systemtic Name: 2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[3-[(4-chlorophenyl)methyl]-2-quinoxalinyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[3-(4-chlorobenzyl)quinoxalin-2-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C27H25ClN4OS MolecularWeight: 489.0316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClN4OS/c28-21-12-10-20(11-13-21)18-25-27(30-24-9-5-4-8-23(24)29-25)34-19-26(33)32-16-14-31(15-17-32)22-6-2-1-3-7-22/h1-13H,14-19H2