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

Systemtic Name: N-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[5-(1H-benzimidazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O3S/c1-13-10-11-14(20-23-16-7-3-4-8-17(16)24-20)12-18(13)25-22(31)26-21(28)15-6-2-5-9-19(15)27(29)30/h2-12H,1H3,(H,23,24)(H2,25,26,28,31)