4-[2-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[[1-(2-diethylaminoethyl)-2-benzimidazolyl]amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C22H26N6O4S MolecularWeight: 470.54464

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O4S/c1-3-26(4-2)11-12-27-17-8-6-5-7-16(17)24-22(27)25-20(29)14-33-19-10-9-15(21(23)30)13-18(19)28(31)32/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,23,30)(H,24,25,29)