N-[5-ethyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-(4-methylsulfanylphenyl)methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[5-ethyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-(4-methylsulfanylphenyl)methyl]thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-(4-methylsulfanylphenyl)methyl]-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[(S)-(4-methyl-1-piperazin-4-iumyl)-[4-(methylthio)phenyl]methyl]-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-(4-methylsulfanylphenyl)methyl]thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-[4-(methylthio)phenyl]methyl]-2-thienyl]benzamide Formula: C26H32N3OS2+ MolecularWeight: 466.68178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)SC)N4CC[NH+](CC4)C

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)[C@H](C3=CC=C(C=C3)SC)N4CC[NH+](CC4)C

InChI

InChI=1S/C26H31N3OS2/c1-4-21-18-23(26(32-21)27-25(30)20-8-6-5-7-9-20)24(29-16-14-28(2)15-17-29)19-10-12-22(31-3)13-11-19/h5-13,18,24H,4,14-17H2,1-3H3,(H,27,30)/p+1/t24-/m0/s1