2-methylsulfanyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-3-pyridinecarboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)ethyl]-2-(methylthio)nicotinamide Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCCN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NCCN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4OS/c1-26-20-18(8-5-9-22-20)19(25)21-10-11-23-12-14-24(15-13-23)16-17-6-3-2-4-7-17/h2-9H,10-16H2,1H3,(H,21,25)