3-methyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(4-propylpiperazin-4-ium-1-yl)butan-2-yl]benzamide

Systemtic Name: 3-methyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(4-propylpiperazin-4-ium-1-yl)butan-2-yl]benzamide Openeye Name: 3-methyl-N-[(1S)-3-methylsulfanyl-1-(4-propylpiperazin-4-ium-1-carbonyl)propyl]benzamide CAS Name: 3-methyl-N-[(2S)-4-(methylthio)-1-oxo-1-(4-propyl-1-piperazin-4-iumyl)butan-2-yl]benzamide IUPAC Name: 3-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(4-propylpiperazin-4-ium-1-yl)butan-2-yl]benzamide Traditional Name: 3-methyl-N-[(1S)-3-(methylthio)-1-(4-propylpiperazin-4-ium-1-carbonyl)propyl]benzamide Formula: C20H32N3O2S+ MolecularWeight: 378.55198

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)[C@H](CCSC)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C20H31N3O2S/c1-4-9-22-10-12-23(13-11-22)20(25)18(8-14-26-3)21-19(24)17-7-5-6-16(2)15-17/h5-7,15,18H,4,8-14H2,1-3H3,(H,21,24)/p+1/t18-/m0/s1