3',6'-bis(dimethylamino)-6-isothiocyanato-spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 3',6'-bis(dimethylamino)-6-isothiocyanato-spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 3',6'-bis(dimethylamino)-6-isothiocyanato-spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 3',6'-bis(dimethylamino)-6-isothiocyanato-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 3',6'-bis(dimethylamino)-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 3',6'-bis(dimethylamino)-6-isothiocyanato-spiro[phthalan-3,9'-xanthene]-1-one Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)N=C=S)C(=O)O3)C5=C(O2)C=C(C=C5)N(C)C

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)N=C=S)C(=O)O3)C5=C(O2)C=C(C=C5)N(C)C

InChI

InChI=1S/C25H21N3O3S/c1-27(2)16-6-9-20-22(12-16)30-23-13-17(28(3)4)7-10-21(23)25(20)19-8-5-15(26-14-32)11-18(19)24(29)31-25/h5-13H,1-4H3