2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(3-methoxyanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[(3-methoxyphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C16H25N4O2S+ MolecularWeight: 337.4603

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC(=CC=C2)OC

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC(=CC=C2)OC

InChI

InChI=1S/C16H24N4O2S/c1-18(2)15(21)12-19-7-9-20(10-8-19)16(23)17-13-5-4-6-14(11-13)22-3/h4-6,11H,7-10,12H2,1-3H3,(H,17,23)/p+1