2-[[4-(4-chloranylphenoxy)phenyl]methylsulfanyl]-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-(4-chloranylphenoxy)phenyl]methylsulfanyl]-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[[4-(4-chlorophenoxy)phenyl]methylsulfanyl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[4-(4-chlorophenoxy)phenyl]methylthio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[[4-(4-chlorophenoxy)phenyl]methylsulfanyl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[4-(4-chlorophenoxy)benzyl]thio]ethanone Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O3S/c1-16(25)23-10-12-24(13-11-23)21(26)15-28-14-17-2-6-19(7-3-17)27-20-8-4-18(22)5-9-20/h2-9H,10-15H2,1H3