[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone

Systemtic Name: [4-(pyridin-4-ylmethyl)piperazin-1-yl]-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone Openeye Name: [4-(4-pyridylmethyl)piperazin-1-yl]-[2-(2-thienylmethylsulfanyl)phenyl]methanone CAS Name: [4-(pyridin-4-ylmethyl)-1-piperazinyl]-[2-(thiophen-2-ylmethylthio)phenyl]methanone IUPAC Name: [4-(pyridin-4-ylmethyl)piperazin-1-yl]-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone Traditional Name: [4-(4-pyridylmethyl)piperazino]-[2-(2-thenylthio)phenyl]methanone Formula: C22H23N3OS2 MolecularWeight: 409.56752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)C3=CC=CC=C3SCC4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)C3=CC=CC=C3SCC4=CC=CS4

InChI

InChI=1S/C22H23N3OS2/c26-22(20-5-1-2-6-21(20)28-17-19-4-3-15-27-19)25-13-11-24(12-14-25)16-18-7-9-23-10-8-18/h1-10,15H,11-14,16-17H2