2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

Systemtic Name: 2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: 2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-N-[3-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C24H31N4O2S+ MolecularWeight: 439.59354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3CC3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3CC3)N4CC[NH+](CC4)C

InChI

InChI=1S/C24H30N4O2S/c1-17-15-19(9-10-21(17)28-13-11-27(2)12-14-28)26-24(30)20-5-3-4-6-22(20)31-16-23(29)25-18-7-8-18/h3-6,9-10,15,18H,7-8,11-14,16H2,1-2H3,(H,25,29)(H,26,30)/p+1