N-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(3,5-dichloro-2-hydroxy-phenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[(3,5-dichloro-2-hydroxyanilino)-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(3,5-dichloro-2-hydroxy-phenyl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C16H13Cl2N3O5S MolecularWeight: 430.26252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13Cl2N3O5S/c1-2-26-13-4-3-8(5-12(13)21(24)25)15(23)20-16(27)19-11-7-9(17)6-10(18)14(11)22/h3-7,22H,2H2,1H3,(H2,19,20,23,27)