N-[5-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[5-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[5-[2-(4-acetylanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[5-[[2-(4-acetylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[5-[[2-(4-acetylanilino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitro-benzamide Formula: C20H17N5O5S2 MolecularWeight: 471.50948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C20H17N5O5S2/c1-11-15(4-3-5-16(11)25(29)30)18(28)22-19-23-24-20(32-19)31-10-17(27)21-14-8-6-13(7-9-14)12(2)26/h3-9H,10H2,1-2H3,(H,21,27)(H,22,23,28)