4-nitro-2-(3-phenylpropanoylcarbamothioylamino)phenolate

Systemtic Name: 4-nitro-2-(3-phenylpropanoylcarbamothioylamino)phenolate Openeye Name: 4-nitro-2-(3-phenylpropanoylcarbamothioylamino)phenolate CAS Name: 4-nitro-2-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 4-nitro-2-(3-phenylpropanoylcarbamothioylamino)phenolate Traditional Name: 2-(hydrocinnamoylthiocarbamoylamino)-4-nitro-phenolate Formula: C16H14N3O4S- MolecularWeight: 344.36506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H15N3O4S/c20-14-8-7-12(19(22)23)10-13(14)17-16(24)18-15(21)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,20H,6,9H2,(H2,17,18,21,24)/p-1