N-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[5-(1H-benzimidazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C23H19N5O4S MolecularWeight: 461.49306

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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(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H19N5O4S/c1-13-7-8-14(21-24-16-5-3-4-6-17(16)25-21)11-18(13)26-23(33)27-22(29)15-9-10-20(32-2)19(12-15)28(30)31/h3-12H,1-2H3,(H,24,25)(H2,26,27,29,33)