2-[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]acetyl]amino]thiophene-3-carboxamide Formula: C21H17N5O5S2 MolecularWeight: 483.52018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C21H17N5O5S2/c1-31-17-5-3-2-4-16(17)25-15-7-6-12(26(29)30)10-14(15)23-21(25)33-11-18(27)24-20-13(19(22)28)8-9-32-20/h2-10H,11H2,1H3,(H2,22,28)(H,24,27)