(5E)-5-[(4-morpholin-4-yl-3-nitro-phenyl)methylidene]-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5E)-5-[(4-morpholin-4-yl-3-nitro-phenyl)methylidene]-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-benzyl-5-[(4-morpholino-3-nitro-phenyl)methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-5-[[4-(4-morpholinyl)-3-nitrophenyl]methylidene]-3-(phenylmethyl)-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-benzyl-5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-benzyl-5-(4-morpholino-3-nitro-benzylidene)-2-thioxo-thiazolidin-4-one Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4S2/c25-20-19(30-21(29)23(20)14-15-4-2-1-3-5-15)13-16-6-7-17(18(12-16)24(26)27)22-8-10-28-11-9-22/h1-7,12-13H,8-11,14H2/b19-13+