N-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]acetamide CAS Name: N-[2-(4-methyl-1-piperazinyl)-2-(1-methyl-2-pyrrolyl)ethyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]acetamide Traditional Name: 2-(benzylthio)-N-[2-(4-methylpiperazino)-2-(1-methylpyrrol-2-yl)ethyl]acetamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)CSCC2=CC=CC=C2)C3=CC=CN3C

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)CSCC2=CC=CC=C2)C3=CC=CN3C

InChI

InChI=1S/C21H30N4OS/c1-23-11-13-25(14-12-23)20(19-9-6-10-24(19)2)15-22-21(26)17-27-16-18-7-4-3-5-8-18/h3-10,20H,11-17H2,1-2H3,(H,22,26)