2-(2-naphthalen-1-ylethanoylcarbamothioylamino)-4-nitro-phenolate

Systemtic Name: 2-(2-naphthalen-1-ylethanoylcarbamothioylamino)-4-nitro-phenolate Openeye Name: 2-[[2-(1-naphthyl)acetyl]carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[(2-naphthalen-1-ylacetyl)carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[[2-(1-naphthyl)acetyl]thiocarbamoylamino]-4-nitro-phenolate Formula: C19H14N3O4S- MolecularWeight: 380.39716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H15N3O4S/c23-17-9-8-14(22(25)26)11-16(17)20-19(27)21-18(24)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,23H,10H2,(H2,20,21,24,27)/p-1