2-chloranyl-N-[[4-[(3-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[[4-[(3-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[[4-[[(3-chlorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[[4-[(3-chlorobenzoyl)amino]phenyl]thiocarbamoyl]-4-nitro-benzamide Formula: C21H14Cl2N4O4S MolecularWeight: 489.33126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H14Cl2N4O4S/c22-13-3-1-2-12(10-13)19(28)24-14-4-6-15(7-5-14)25-21(32)26-20(29)17-9-8-16(27(30)31)11-18(17)23/h1-11H,(H,24,28)(H2,25,26,29,32)