[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-[(3-methyl-2-sulfanylidene-imidazol-1-yl)methyl]-propyl-azanium

Systemtic Name: [2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-[(3-methyl-2-sulfanylidene-imidazol-1-yl)methyl]-propyl-azanium Openeye Name: [2-(2-methoxyanilino)-2-oxo-ethyl]-[(3-methyl-2-thioxo-imidazol-1-yl)methyl]-propyl-ammonium CAS Name: [2-(2-methoxyanilino)-2-oxoethyl]-[(3-methyl-2-sulfanylidene-1-imidazolyl)methyl]-propylammonium IUPAC Name: [2-(2-methoxyanilino)-2-oxoethyl]-[(3-methyl-2-sulfanylideneimidazol-1-yl)methyl]-propylazanium Traditional Name: [2-keto-2-(o-anisidino)ethyl]-[(3-methyl-2-thioxo-4-imidazolin-1-yl)methyl]-propyl-ammonium Formula: C17H25N4O2S+ MolecularWeight: 349.471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC(=O)NC1=CC=CC=C1OC)CN2C=CN(C2=S)C

Isomeric SMILES

CCC[NH+](CC(=O)NC1=CC=CC=C1OC)CN2C=CN(C2=S)C

InChI

InChI=1S/C17H24N4O2S/c1-4-9-20(13-21-11-10-19(2)17(21)24)12-16(22)18-14-7-5-6-8-15(14)23-3/h5-8,10-11H,4,9,12-13H2,1-3H3,(H,18,22)/p+1