2-[2-methoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioyl-phenoxy]ethanamide

Systemtic Name: 2-[2-methoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioyl-phenoxy]ethanamide Openeye Name: 2-[4-(4-benzylpiperazin-4-ium-1-carbothioyl)-2-methoxy-phenoxy]acetamide CAS Name: 2-[2-methoxy-4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]phenoxy]acetamide IUPAC Name: 2-[4-(4-benzylpiperazin-4-ium-1-carbothioyl)-2-methoxyphenoxy]acetamide Traditional Name: 2-[4-(4-benzylpiperazin-4-ium-1-carbothioyl)-2-methoxy-phenoxy]acetamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3)OCC(=O)N

InChI

InChI=1S/C21H25N3O3S/c1-26-19-13-17(7-8-18(19)27-15-20(22)25)21(28)24-11-9-23(10-12-24)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H2,22,25)/p+1