N-(3-carbamothioylphenyl)-2-(1H-imidazol-3-ium-3-yl)ethanamide

Systemtic Name: N-(3-carbamothioylphenyl)-2-(1H-imidazol-3-ium-3-yl)ethanamide Openeye Name: N-(3-carbamothioylphenyl)-2-(1H-imidazol-3-ium-3-yl)acetamide CAS Name: N-(3-carbamothioylphenyl)-2-(1H-imidazol-3-ium-3-yl)acetamide IUPAC Name: N-(3-carbamothioylphenyl)-2-(1H-imidazol-3-ium-3-yl)acetamide Traditional Name: 2-(1H-imidazol-3-ium-3-yl)-N-(3-thiocarbamoylphenyl)acetamide Formula: C12H13N4OS+ MolecularWeight: 261.32282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C[N+]2=CNC=C2)C(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C[N+]2=CNC=C2)C(=S)N

InChI

InChI=1S/C12H12N4OS/c13-12(18)9-2-1-3-10(6-9)15-11(17)7-16-5-4-14-8-16/h1-6,8H,7H2,(H3,13,15,17,18)/p+1