4-chloranyl-N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2,5-dimethoxyanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(2,5-dimethoxyphenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C16H14ClN3O5S MolecularWeight: 395.81746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O5S/c1-24-10-4-6-14(25-2)12(8-10)18-16(26)19-15(21)9-3-5-11(17)13(7-9)20(22)23/h3-8H,1-2H3,(H2,18,19,21,26)