(2Z)-2-[(acetamidocarbamothioylamino)methylidene]-N-(4-nitrophenyl)-3-oxidanylidene-butanamide

Systemtic Name: (2Z)-2-[(acetamidocarbamothioylamino)methylidene]-N-(4-nitrophenyl)-3-oxidanylidene-butanamide Openeye Name: (2Z)-2-[(acetamidocarbamothioylamino)methylene]-N-(4-nitrophenyl)-3-oxo-butanamide CAS Name: (2Z)-2-[[[(acetylhydrazo)-sulfanylidenemethyl]amino]methylidene]-N-(4-nitrophenyl)-3-oxobutanamide IUPAC Name: (2Z)-2-[(acetamidocarbamothioylamino)methylidene]-N-(4-nitrophenyl)-3-oxobutanamide Traditional Name: (Z)-3-(acetamidothiocarbamoylamino)-2-acetyl-N-(4-nitrophenyl)acrylamide Formula: C14H15N5O5S MolecularWeight: 365.3644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CNC(=S)NNC(=O)C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O5S/c1-8(20)12(7-15-14(25)18-17-9(2)21)13(22)16-10-3-5-11(6-4-10)19(23)24/h3-7H,1-2H3,(H,16,22)(H,17,21)(H2,15,18,25)/b12-7-