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

Systemtic Name: N-(3-carbamothioylphenyl)-3-(2-methyl-1H-imidazol-3-ium-3-yl)propanamide Openeye Name: N-(3-carbamothioylphenyl)-3-(2-methyl-1H-imidazol-3-ium-3-yl)propanamide CAS Name: N-(3-carbamothioylphenyl)-3-(2-methyl-1H-imidazol-3-ium-3-yl)propanamide IUPAC Name: N-(3-carbamothioylphenyl)-3-(2-methyl-1H-imidazol-3-ium-3-yl)propanamide Traditional Name: 3-(2-methyl-1H-imidazol-3-ium-3-yl)-N-(3-thiocarbamoylphenyl)propionamide Formula: C14H17N4OS+ MolecularWeight: 289.37598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4OS/c1-10-16-6-8-18(10)7-5-13(19)17-12-4-2-3-11(9-12)14(15)20/h2-4,6,8-9H,5,7H2,1H3,(H3,15,17,19,20)/p+1