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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-methylsulfanyl-benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-methylsulfanyl-benzamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-2-(methylthio)benzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-2-methylsulfanylbenzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-(methylthio)benzamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SC)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SC)C

InChI

InChI=1S/C21H27N3OS/c1-4-23-11-13-24(14-12-23)19-10-9-17(15-16(19)2)22-21(25)18-7-5-6-8-20(18)26-3/h5-10,15H,4,11-14H2,1-3H3,(H,22,25)/p+1