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

Systemtic Name: N-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(3,5-dichloro-4-hydroxy-phenyl)carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[(3,5-dichloro-4-hydroxyanilino)-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(3,5-dichloro-4-hydroxy-phenyl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C15H11Cl2N3O4S MolecularWeight: 400.23654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC(=C(C(=C2)Cl)O)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC(=C(C(=C2)Cl)O)Cl

InChI

InChI=1S/C15H11Cl2N3O4S/c1-7-9(3-2-4-12(7)20(23)24)14(22)19-15(25)18-8-5-10(16)13(21)11(17)6-8/h2-6,21H,1H3,(H2,18,19,22,25)