4-[2-[2-(4-nitrophenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-N-(phenylmethyl)butanamide

Systemtic Name: 4-[2-[2-(4-nitrophenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[2-[[2-(4-nitrophenoxy)acetyl]carbamothioyl]hydrazino]-4-oxo-butanamide CAS Name: 4-[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-4-oxo-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[2-[[2-(4-nitrophenoxy)acetyl]carbamothioyl]hydrazinyl]-4-oxobutanamide Traditional Name: N-benzyl-4-keto-4-[N'-[[2-(4-nitrophenoxy)acetyl]thiocarbamoyl]hydrazino]butyramide Formula: C20H21N5O6S MolecularWeight: 459.47564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O6S/c26-17(21-12-14-4-2-1-3-5-14)10-11-18(27)23-24-20(32)22-19(28)13-31-16-8-6-15(7-9-16)25(29)30/h1-9H,10-13H2,(H,21,26)(H,23,27)(H2,22,24,28,32)