N-(3,5-dimethylphenyl)-2-[4-(4-methylpiperazin-4-ium-1-yl)carbothioylphenoxy]ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[4-(4-methylpiperazin-4-ium-1-yl)carbothioylphenoxy]ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[4-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]phenoxy]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC2=CC=C(C=C2)C(=S)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC2=CC=C(C=C2)C(=S)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C22H27N3O2S/c1-16-12-17(2)14-19(13-16)23-21(26)15-27-20-6-4-18(5-7-20)22(28)25-10-8-24(3)9-11-25/h4-7,12-14H,8-11,15H2,1-3H3,(H,23,26)/p+1