1-azanyl-2-[3-(diethylamino)propyl]-9-oxidanylidene-thioxanthene-4-carbaldehyde

Systemtic Name: 1-azanyl-2-[3-(diethylamino)propyl]-9-oxidanylidene-thioxanthene-4-carbaldehyde Openeye Name: 1-amino-2-[3-(diethylamino)propyl]-9-oxo-thioxanthene-4-carbaldehyde CAS Name: 1-amino-2-[3-(diethylamino)propyl]-9-oxo-4-thioxanthenecarboxaldehyde IUPAC Name: 1-amino-2-[3-(diethylamino)propyl]-9-oxothioxanthene-4-carbaldehyde Traditional Name: 1-amino-2-[3-(diethylamino)propyl]-9-keto-thioxanthene-4-carbaldehyde Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC1=C(C2=C(C(=C1)C=O)SC3=CC=CC=C3C2=O)N

Isomeric SMILES

CCN(CC)CCCC1=C(C2=C(C(=C1)C=O)SC3=CC=CC=C3C2=O)N

InChI

InChI=1S/C21H24N2O2S/c1-3-23(4-2)11-7-8-14-12-15(13-24)21-18(19(14)22)20(25)16-9-5-6-10-17(16)26-21/h5-6,9-10,12-13H,3-4,7-8,11,22H2,1-2H3