[[(4-ethoxyphenyl)carbamothioylamino]-(4-methylphenyl)methylidene]-[(4-nitrophenyl)methyl]azanium

Systemtic Name: [[(4-ethoxyphenyl)carbamothioylamino]-(4-methylphenyl)methylidene]-[(4-nitrophenyl)methyl]azanium Openeye Name: [[(4-ethoxyphenyl)carbamothioylamino]-(p-tolyl)methylene]-[(4-nitrophenyl)methyl]ammonium CAS Name: [[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-(4-methylphenyl)methylidene]-[(4-nitrophenyl)methyl]ammonium IUPAC Name: [[(4-ethoxyphenyl)carbamothioylamino]-(4-methylphenyl)methylidene]-[(4-nitrophenyl)methyl]azanium Traditional Name: (4-nitrobenzyl)-[(p-phenetylthiocarbamoylamino)-(p-tolyl)methylene]ammonium Formula: C24H25N4O3S+ MolecularWeight: 449.5453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC(=[NH+]CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC(=[NH+]CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C

InChI

InChI=1S/C24H24N4O3S/c1-3-31-22-14-10-20(11-15-22)26-24(32)27-23(19-8-4-17(2)5-9-19)25-16-18-6-12-21(13-7-18)28(29)30/h4-15H,3,16H2,1-2H3,(H2,25,26,27,32)/p+1