N-[(2S)-1-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1S)-1-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[(2S)-1-[[2-[(4-ethyl-1-piperazin-4-iumyl)methyl]phenyl]methylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[(1S)-1-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzyl]carbamoyl]-3-(methylthio)propyl]benzamide Formula: C26H37N4O2S+ MolecularWeight: 469.66258

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC=CC=C2CNC(=O)C(CCSC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=CC=C2CNC(=O)[C@H](CCSC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H36N4O2S/c1-3-29-14-16-30(17-15-29)20-23-12-8-7-11-22(23)19-27-26(32)24(13-18-33-2)28-25(31)21-9-5-4-6-10-21/h4-12,24H,3,13-20H2,1-2H3,(H,27,32)(H,28,31)/p+1/t24-/m0/s1