2-chloranyl-6-[(3,4-dimethoxyphenyl)carbonylcarbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-chloranyl-6-[(3,4-dimethoxyphenyl)carbonylcarbamothioylamino]-4-nitro-phenolate Openeye Name: 2-chloro-6-[(3,4-dimethoxybenzoyl)carbamothioylamino]-4-nitro-phenolate CAS Name: 2-chloro-6-[[[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-chloro-6-[(3,4-dimethoxybenzoyl)carbamothioylamino]-4-nitrophenolate Traditional Name: 2-chloro-4-nitro-6-(veratroylthiocarbamoylamino)phenolate Formula: C16H13ClN3O6S- MolecularWeight: 410.80892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2[O-])Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2[O-])Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C16H14ClN3O6S/c1-25-12-4-3-8(5-13(12)26-2)15(22)19-16(27)18-11-7-9(20(23)24)6-10(17)14(11)21/h3-7,21H,1-2H3,(H2,18,19,22,27)/p-1