2-[[(3,4-dimethylphenyl)carbamothioylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(3,4-dimethylphenyl)carbamothioylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(3,4-dimethylphenyl)carbamothioylamino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(3,4-dimethylphenyl)carbamothioylamino]methyl]-4-nitrophenolate Traditional Name: 2-[[(3,4-dimethylphenyl)thiocarbamoylamino]methyl]-4-nitro-phenolate Formula: C16H16N3O3S- MolecularWeight: 330.38154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C16H17N3O3S/c1-10-3-4-13(7-11(10)2)18-16(23)17-9-12-8-14(19(21)22)5-6-15(12)20/h3-8,20H,9H2,1-2H3,(H2,17,18,23)/p-1