3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-phenyl-propanamide

Systemtic Name: 3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-phenyl-propanamide Openeye Name: 3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-phenyl-propanamide CAS Name: 3-[(6-nitro-1H-benzimidazol-2-yl)thio]-N-phenylpropanamide IUPAC Name: 3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-phenylpropanamide Traditional Name: 3-[(6-nitro-1H-benzimidazol-2-yl)thio]-N-phenyl-propionamide Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3S/c21-15(17-11-4-2-1-3-5-11)8-9-24-16-18-13-7-6-12(20(22)23)10-14(13)19-16/h1-7,10H,8-9H2,(H,17,21)(H,18,19)