2-chloranyl-N-[(2S)-1-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-1-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-1-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-chloro-N-[(2S)-1-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)anilino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[(2S)-1-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-1-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-3-(methylthio)propyl]benzamide Formula: C24H32ClN4O2S+ MolecularWeight: 476.05448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C(CCSC)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)[C@H](CCSC)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C24H31ClN4O2S/c1-17-16-18(29-13-11-28(2)12-14-29)8-9-21(17)26-24(31)22(10-15-32-3)27-23(30)19-6-4-5-7-20(19)25/h4-9,16,22H,10-15H2,1-3H3,(H,26,31)(H,27,30)/p+1/t22-/m0/s1