2-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl]isoindoline-1,3-quinone Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CN3C(=O)C4=CC=CC=C4C3=O)SC5=CC=CC=C5C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CN3C(=O)C4=CC=CC=C4C3=O)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C28H27N3O3S/c1-3-30(4-2)16-15-29-22-14-13-18(17-31-27(33)19-9-5-6-10-20(19)28(31)34)26-24(22)25(32)21-11-7-8-12-23(21)35-26/h5-14,29H,3-4,15-17H2,1-2H3