N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[4-(1H-benzimidazol-2-yl)anilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C22H17N5O4S MolecularWeight: 447.46648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O4S/c1-31-19-11-8-14(12-18(19)27(29)30)21(28)26-22(32)23-15-9-6-13(7-10-15)20-24-16-4-2-3-5-17(16)25-20/h2-12H,1H3,(H,24,25)(H2,23,26,28,32)