2-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[(3,5-dimethylbenzoyl)carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[[[(3,5-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[(3,5-dimethylbenzoyl)carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[(3,5-dimethylbenzoyl)thiocarbamoylamino]-4-nitro-phenolate Formula: C16H14N3O4S- MolecularWeight: 344.36506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C16H15N3O4S/c1-9-5-10(2)7-11(6-9)15(21)18-16(24)17-13-8-12(19(22)23)3-4-14(13)20/h3-8,20H,1-2H3,(H2,17,18,21,24)/p-1