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

Systemtic Name: 4-chloranyl-N-[[4-[(3-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[4-[[(3-chlorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[4-[(3-chlorobenzoyl)amino]phenyl]thiocarbamoyl]-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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