2-[4-(4-methylpiperazin-4-ium-1-yl)carbothioylphenoxy]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)carbothioylphenoxy]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide CAS Name: 2-[4-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]phenoxy]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide Traditional Name: N-benzyl-2-[4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-23-11-13-24(14-12-23)21(27)18-7-9-19(10-8-18)26-16-20(25)22-15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,22,25)/p+1