N-[(1E)-1-(4-nitrophenyl)-3-oxidanyl-1-(phenylcarbamothioylhydrazinylidene)propan-2-yl]ethanamide

Systemtic Name: N-[(1E)-1-(4-nitrophenyl)-3-oxidanyl-1-(phenylcarbamothioylhydrazinylidene)propan-2-yl]ethanamide Openeye Name: N-[(2E)-1-(hydroxymethyl)-2-(4-nitrophenyl)-2-(phenylcarbamothioylhydrazono)ethyl]acetamide CAS Name: N-[(1E)-1-[[anilino(sulfanylidene)methyl]hydrazinylidene]-3-hydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide IUPAC Name: N-[(1E)-3-hydroxy-1-(4-nitrophenyl)-1-(phenylcarbamothioylhydrazinylidene)propan-2-yl]acetamide Traditional Name: N-[(2E)-1-methylol-2-(4-nitrophenyl)-2-(phenylthiocarbamoylhydrazono)ethyl]acetamide Formula: C18H19N5O4S MolecularWeight: 401.43956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CO)C(=NNC(=S)NC1=CC=CC=C1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(CO)/C(=N/NC(=S)NC1=CC=CC=C1)/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O4S/c1-12(25)19-16(11-24)17(13-7-9-15(10-8-13)23(26)27)21-22-18(28)20-14-5-3-2-4-6-14/h2-10,16,24H,11H2,1H3,(H,19,25)(H2,20,22,28)/b21-17+