N-(3-carbamothioylphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-carbamothioylphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-carbamothioylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-carbamothioylphenyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-carbamothioylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)-N-(3-thiocarbamoylphenyl)acetamide Formula: C13H17N4O2S+ MolecularWeight: 293.36468

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C13H16N4O2S/c14-13(20)9-2-1-3-10(6-9)16-12(19)8-17-5-4-15-11(18)7-17/h1-3,6H,4-5,7-8H2,(H2,14,20)(H,15,18)(H,16,19)/p+1