N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]butan-2-yl]benzamide

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]butan-2-yl]benzamide Openeye Name: N-[(1S)-3-methylsulfanyl-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]propyl]benzamide CAS Name: N-[(2S)-4-(methylthio)-1-oxo-1-[2-(4-phenyl-1-piperazin-1-iumyl)ethylamino]butan-2-yl]benzamide IUPAC Name: N-[(2S)-4-methylsulfanyl-1-oxo-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]butan-2-yl]benzamide Traditional Name: N-[(1S)-3-(methylthio)-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]propyl]benzamide Formula: C24H33N4O2S+ MolecularWeight: 441.60942

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)NCC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H32N4O2S/c1-31-19-12-22(26-23(29)20-8-4-2-5-9-20)24(30)25-13-14-27-15-17-28(18-16-27)21-10-6-3-7-11-21/h2-11,22H,12-19H2,1H3,(H,25,30)(H,26,29)/p+1/t22-/m0/s1