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

Systemtic Name: 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 4-[(2-methylthiazol-4-yl)methylsulfanyl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C24H29N4OS2+ MolecularWeight: 453.64326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4OS2/c1-19-26-21(17-30-19)18-31-23-9-7-20(8-10-23)24(29)25-11-12-27-13-15-28(16-14-27)22-5-3-2-4-6-22/h2-10,17H,11-16,18H2,1H3,(H,25,29)/p+1