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

Systemtic Name: 3,4-bis(chloranyl)-N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3,4-dichloro-N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3,4-dichloro-N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dichloro-N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3,4-dichloro-N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C15H10Cl3N3O3S MolecularWeight: 418.6822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H10Cl3N3O3S/c1-7-4-13(21(23)24)11(18)6-12(7)19-15(25)20-14(22)8-2-3-9(16)10(17)5-8/h2-6H,1H3,(H2,19,20,22,25)