N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[3-(1H-benzimidazol-2-yl)anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C21H15N5O3S MolecularWeight: 417.4405

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N5O3S/c27-20(15-8-1-4-11-18(15)26(28)29)25-21(30)22-14-7-5-6-13(12-14)19-23-16-9-2-3-10-17(16)24-19/h1-12H,(H,23,24)(H2,22,25,27,30)