N-[[5-(1H-benzimidazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[5-(1H-benzimidazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[5-(1H-benzimidazol-2-yl)-2-chloro-phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[5-(1H-benzimidazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[5-(1H-benzimidazol-2-yl)-2-chloro-phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C21H14ClN5O3S MolecularWeight: 451.88556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4N3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4N3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClN5O3S/c22-14-10-9-12(19-23-15-6-2-3-7-16(15)24-19)11-17(14)25-21(31)26-20(28)13-5-1-4-8-18(13)27(29)30/h1-11H,(H,23,24)(H2,25,26,28,31)