N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-(phenylcarbamothioylamino)ethanamide

Systemtic Name: N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-(phenylcarbamothioylamino)ethanamide Openeye Name: N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-(phenylcarbamothioylamino)acetamide CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-N-[[4-[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl]methyl]acetamide IUPAC Name: N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-(phenylcarbamothioylamino)acetamide Traditional Name: N-[4-[(3-methylimidazol-3-ium-1-yl)methyl]benzyl]-2-(phenylthiocarbamoylamino)acetamide Formula: C21H24N5OS+ MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)CNC(=O)CNC(=S)NC3=CC=CC=C3

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)CNC(=O)CNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N5OS/c1-25-11-12-26(16-25)15-18-9-7-17(8-10-18)13-22-20(27)14-23-21(28)24-19-5-3-2-4-6-19/h2-12,16H,13-15H2,1H3,(H2-,22,23,24,27,28)/p+1