2-(3-chloranyl-4-methoxy-phenyl)sulfanyl-1-piperazin-1-yl-ethanone

Systemtic Name: 2-(3-chloranyl-4-methoxy-phenyl)sulfanyl-1-piperazin-1-yl-ethanone Openeye Name: 2-(3-chloro-4-methoxy-phenyl)sulfanyl-1-piperazin-1-yl-ethanone CAS Name: 2-[(3-chloro-4-methoxyphenyl)thio]-1-(1-piperazinyl)ethanone IUPAC Name: 2-(3-chloro-4-methoxyphenyl)sulfanyl-1-piperazin-1-ylethanone Traditional Name: 2-[(3-chloro-4-methoxy-phenyl)thio]-1-piperazino-ethanone Formula: C13H17ClN2O2S MolecularWeight: 300.80428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)N2CCNCC2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)N2CCNCC2)Cl

InChI

InChI=1S/C13H17ClN2O2S/c1-18-12-3-2-10(8-11(12)14)19-9-13(17)16-6-4-15-5-7-16/h2-3,8,15H,4-7,9H2,1H3