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

Systemtic Name: N-[5-ethyl-3-[(S)-(4-ethylpiperazin-4-ium-1-yl)-(4-methylsulfanylphenyl)methyl]thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-[(S)-(4-ethylpiperazin-4-ium-1-yl)-(4-methylsulfanylphenyl)methyl]-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[(S)-(4-ethyl-1-piperazin-4-iumyl)-[4-(methylthio)phenyl]methyl]-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-[(S)-(4-ethylpiperazin-4-ium-1-yl)-(4-methylsulfanylphenyl)methyl]thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[(S)-(4-ethylpiperazin-4-ium-1-yl)-[4-(methylthio)phenyl]methyl]-2-thienyl]benzamide Formula: C27H34N3OS2+ MolecularWeight: 480.70836

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3OS2/c1-4-22-19-24(27(33-22)28-26(31)21-9-7-6-8-10-21)25(20-11-13-23(32-3)14-12-20)30-17-15-29(5-2)16-18-30/h6-14,19,25H,4-5,15-18H2,1-3H3,(H,28,31)/p+1/t25-/m0/s1