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

Systemtic Name: N-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbamothioyl]-2-chloranyl-5-nitro-benzamide Openeye Name: 2-chloro-N-[(3,5-dichloro-4-hydroxy-phenyl)carbamothioyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[(3,5-dichloro-4-hydroxyanilino)-sulfanylidenemethyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[(3,5-dichloro-4-hydroxy-phenyl)thiocarbamoyl]-5-nitro-benzamide Formula: C14H8Cl3N3O4S MolecularWeight: 420.65502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8Cl3N3O4S/c15-9-2-1-7(20(23)24)5-8(9)13(22)19-14(25)18-6-3-10(16)12(21)11(17)4-6/h1-5,21H,(H2,18,19,22,25)