N-[(5Z)-5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[(5Z)-5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide Openeye Name: N-[(5Z)-5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]adamantane-1-carboxamide CAS Name: N-[(5Z)-5-[[4-(2-hydroxyethylthio)-3-nitrophenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-adamantanecarboxamide IUPAC Name: N-[(5Z)-5-[[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide Traditional Name: N-[(5Z)-5-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]-4-keto-2-thioxo-thiazolidin-3-yl]adamantane-1-carboxamide Formula: C23H25N3O5S3 MolecularWeight: 519.6567

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NN4C(=O)C(=CC5=CC(=C(C=C5)SCCO)[N+](=O)[O-])SC4=S

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NN4C(=O)/C(=C/C5=CC(=C(C=C5)SCCO)[N+](=O)[O-])/SC4=S

InChI

InChI=1S/C23H25N3O5S3/c27-3-4-33-18-2-1-13(8-17(18)26(30)31)9-19-20(28)25(22(32)34-19)24-21(29)23-10-14-5-15(11-23)7-16(6-14)12-23/h1-2,8-9,14-16,27H,3-7,10-12H2,(H,24,29)/b19-9-