2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[(8-chloro-1-naphthyl)sulfanyl]-1-[4-(4-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(8-chloronaphthalen-1-yl)sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(8-chloro-1-naphthyl)thio]-1-[4-(4-pyridylmethyl)piperazino]ethanone Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3OS/c23-19-5-1-3-18-4-2-6-20(22(18)19)28-16-21(27)26-13-11-25(12-14-26)15-17-7-9-24-10-8-17/h1-10H,11-16H2