N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-[(2-methylthiazol-4-yl)methylsulfanyl]benzamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-4-[(2-methyl-4-thiazolyl)methylthio]benzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-[(2-methylthiazol-4-yl)methylthio]benzamide Formula: C25H31N4OS2+ MolecularWeight: 467.66984

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)SCC4=CSC(=N4)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)SCC4=CSC(=N4)C)C

InChI

InChI=1S/C25H30N4OS2/c1-4-28-11-13-29(14-12-28)22-7-10-24(18(2)15-22)27-25(30)20-5-8-23(9-6-20)32-17-21-16-31-19(3)26-21/h5-10,15-16H,4,11-14,17H2,1-3H3,(H,27,30)/p+1