2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)ethanamide

Systemtic Name: 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide CAS Name: 2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-N-[oxo(propylamino)methyl]acetamide IUPAC Name: 2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide Traditional Name: 2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]-N-(propylcarbamoyl)acetamide Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)CSC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)NC(=O)CSC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S/c1-3-10-21-19(27)23-18(26)12-31-20-22-14-11-13(25(28)29)8-9-15(14)24(20)16-6-4-5-7-17(16)30-2/h4-9,11H,3,10,12H2,1-2H3,(H2,21,23,26,27)