3-cyclohexyl-2-cyclohexylimino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one

Systemtic Name: 3-cyclohexyl-2-cyclohexylimino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one Openeye Name: 3-cyclohexyl-2-cyclohexylimino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]thiazolidin-4-one CAS Name: 3-cyclohexyl-2-cyclohexylimino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-thiazolidinone IUPAC Name: 3-cyclohexyl-2-cyclohexylimino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one Traditional Name: 3-cyclohexyl-2-cyclohexylimino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]thiazolidin-4-one Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C2N(C(=O)C(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)S2)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)N=C2N(C(=O)C(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)S2)C5CCCCC5

InChI

InChI=1S/C23H27N3O5S/c27-22-21(12-15-11-19-20(31-14-30-19)13-18(15)26(28)29)32-23(24-16-7-3-1-4-8-16)25(22)17-9-5-2-6-10-17/h11-13,16-17H,1-10,14H2