N-[(2S)-1-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1S)-1-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[(2S)-1-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]amino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[(1S)-1-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]carbamoyl]-3-(methylthio)propyl]benzamide Formula: C22H30N5O2S+ MolecularWeight: 428.5709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2S/c1-26-11-13-27(14-12-26)20-9-8-18(16-23-20)24-22(29)19(10-15-30-2)25-21(28)17-6-4-3-5-7-17/h3-9,16,19H,10-15H2,1-2H3,(H,24,29)(H,25,28)/p+1/t19-/m0/s1