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

Systemtic Name: 2-chloranyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]butan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-3-methylsulfanyl-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]propyl]benzamide CAS Name: 2-chloro-N-[(2S)-4-(methylthio)-1-oxo-1-[2-(4-phenyl-1-piperazin-1-iumyl)ethylamino]butan-2-yl]benzamide IUPAC Name: 2-chloro-N-[(2S)-4-methylsulfanyl-1-oxo-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]butan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-3-(methylthio)-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]propyl]benzamide Formula: C24H32ClN4O2S+ MolecularWeight: 476.05448

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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=C3Cl

Isomeric SMILES

CSCC[C@@H](C(=O)NCC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C24H31ClN4O2S/c1-32-18-11-22(27-23(30)20-9-5-6-10-21(20)25)24(31)26-12-13-28-14-16-29(17-15-28)19-7-3-2-4-8-19/h2-10,22H,11-18H2,1H3,(H,26,31)(H,27,30)/p+1/t22-/m0/s1