4-[2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[[4-(4-acetamidophenyl)thiazol-2-yl]amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[[4-(4-acetamidophenyl)-2-thiazolyl]amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[[4-(4-acetamidophenyl)thiazol-2-yl]amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C20H17N5O5S2 MolecularWeight: 471.50948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O5S2/c1-11(26)22-14-5-2-12(3-6-14)15-9-32-20(23-15)24-18(27)10-31-17-7-4-13(19(21)28)8-16(17)25(29)30/h2-9H,10H2,1H3,(H2,21,28)(H,22,26)(H,23,24,27)