2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]acetamide Formula: C22H27N4OS2+ MolecularWeight: 427.60598

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H26N4OS2/c1-3-25-10-12-26(13-11-25)17-8-9-18(16(2)14-17)23-21(27)15-28-22-24-19-6-4-5-7-20(19)29-22/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,27)/p+1