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

Systemtic Name: N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-[(3-methylphenyl)carbamothioylamino]ethanamide Openeye Name: N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-(m-tolylcarbamothioylamino)acetamide CAS Name: 2-[[(3-methylanilino)-sulfanylidenemethyl]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-[(3-methylphenyl)carbamothioylamino]acetamide Traditional Name: N-[4-[(3-methylimidazol-3-ium-1-yl)methyl]benzyl]-2-(m-tolylthiocarbamoylamino)acetamide Formula: C22H26N5OS+ MolecularWeight: 408.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NCC(=O)NCC2=CC=C(C=C2)CN3C=C[N+](=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NCC(=O)NCC2=CC=C(C=C2)CN3C=C[N+](=C3)C

InChI

InChI=1S/C22H25N5OS/c1-17-4-3-5-20(12-17)25-22(29)24-14-21(28)23-13-18-6-8-19(9-7-18)15-27-11-10-26(2)16-27/h3-12,16H,13-15H2,1-2H3,(H2-,23,24,25,28,29)/p+1