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

Systemtic Name: 2-[2-[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]ethanoyl]isoindole-1,3-dione Openeye Name: 2-[2-[1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]acetyl]isoindoline-1,3-dione CAS Name: 2-[2-[1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]-1-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]acetyl]isoindole-1,3-dione Traditional Name: 2-[2-[1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]acetyl]isoindoline-1,3-quinone Formula: C29H27N3O4S MolecularWeight: 513.60738

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CC(=O)N3C(=O)C4=CC=CC=C4C3=O)SC5=CC=CC=C5C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CC(=O)N3C(=O)C4=CC=CC=C4C3=O)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C29H27N3O4S/c1-3-31(4-2)16-15-30-22-14-13-18(27-25(22)26(34)21-11-7-8-12-23(21)37-27)17-24(33)32-28(35)19-9-5-6-10-20(19)29(32)36/h5-14,30H,3-4,15-17H2,1-2H3