2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[(4-ethoxyanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(p-phenetylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C23H30N4O2S/c1-3-18-7-5-6-8-21(18)25-22(28)17-26-13-15-27(16-14-26)23(30)24-19-9-11-20(12-10-19)29-4-2/h5-12H,3-4,13-17H2,1-2H3,(H,24,30)(H,25,28)/p+1