(2Z)-2-(carbamothioylhydrazinylidene)-4-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)-4-oxidanylidene-butanamide

Systemtic Name: (2Z)-2-(carbamothioylhydrazinylidene)-4-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)-4-oxidanylidene-butanamide Openeye Name: (2Z)-2-(carbamothioylhydrazono)-4-(4-nitrophenyl)-N-(5-nitrothiazol-2-yl)-4-oxo-butanamide CAS Name: (2Z)-2-(carbamothioylhydrazinylidene)-4-(4-nitrophenyl)-N-(5-nitro-2-thiazolyl)-4-oxobutanamide IUPAC Name: (2Z)-2-(carbamothioylhydrazinylidene)-4-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)-4-oxobutanamide Traditional Name: (2Z)-4-keto-4-(4-nitrophenyl)-N-(5-nitrothiazol-2-yl)-2-(thiocarbamoylhydrazono)butyramide Formula: C14H11N7O6S2 MolecularWeight: 437.41044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC(=NNC(=S)N)C(=O)NC2=NC=C(S2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C/C(=N/NC(=S)N)/C(=O)NC2=NC=C(S2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H11N7O6S2/c15-13(28)19-18-9(12(23)17-14-16-6-11(29-14)21(26)27)5-10(22)7-1-3-8(4-2-7)20(24)25/h1-4,6H,5H2,(H3,15,19,28)(H,16,17,23)/b18-9-