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

Systemtic Name: N-[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide Openeye Name: N-[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]-4-[(2-methylthiazol-4-yl)methylsulfanyl]benzamide CAS Name: N-[4-[(4-ethyl-1-piperazin-4-iumyl)methyl]phenyl]-4-[(2-methyl-4-thiazolyl)methylthio]benzamide IUPAC Name: N-[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide Traditional Name: N-[4-[(4-ethylpiperazin-4-ium-1-yl)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)CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)SCC4=CSC(=N4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)SCC4=CSC(=N4)C

InChI

InChI=1S/C25H30N4OS2/c1-3-28-12-14-29(15-13-28)16-20-4-8-22(9-5-20)27-25(30)21-6-10-24(11-7-21)32-18-23-17-31-19(2)26-23/h4-11,17H,3,12-16,18H2,1-2H3,(H,27,30)/p+1