2-[[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(2-chloro-4,6-dimethyl-phenyl)carbamothioylamino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(2-chloro-4,6-dimethylphenyl)carbamothioylamino]methyl]-4-nitrophenolate Traditional Name: 2-[[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoylamino]methyl]-4-nitro-phenolate Formula: C16H15ClN3O3S- MolecularWeight: 364.8266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O3S/c1-9-5-10(2)15(13(17)6-9)19-16(24)18-8-11-7-12(20(22)23)3-4-14(11)21/h3-7,21H,8H2,1-2H3,(H2,18,19,24)/p-1