N-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-(4-methyl-1-piperazinyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-(phenylthio)propanamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-(4-methylpiperazino)-2-(1-methylpyrrol-2-yl)ethyl]-3-(phenylthio)propionamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)CCSC2=CC=CC=C2)C3=CC=CN3C

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)CCSC2=CC=CC=C2)C3=CC=CN3C

InChI

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