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

Systemtic Name: N-(3-carbamothioylphenyl)-2-(2-methyl-1H-imidazol-3-ium-3-yl)ethanamide Openeye Name: N-(3-carbamothioylphenyl)-2-(2-methyl-1H-imidazol-3-ium-3-yl)acetamide CAS Name: N-(3-carbamothioylphenyl)-2-(2-methyl-1H-imidazol-3-ium-3-yl)acetamide IUPAC Name: N-(3-carbamothioylphenyl)-2-(2-methyl-1H-imidazol-3-ium-3-yl)acetamide Traditional Name: 2-(2-methyl-1H-imidazol-3-ium-3-yl)-N-(3-thiocarbamoylphenyl)acetamide Formula: C13H15N4OS+ MolecularWeight: 275.3494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CC(=O)NC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

CC1=[N+](C=CN1)CC(=O)NC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C13H14N4OS/c1-9-15-5-6-17(9)8-12(18)16-11-4-2-3-10(7-11)13(14)19/h2-7H,8H2,1H3,(H3,14,16,18,19)/p+1