2,3-dimethoxy-6-(3-morpholin-4-ylpropylamino)thioxanthen-9-one

Systemtic Name: 2,3-dimethoxy-6-(3-morpholin-4-ylpropylamino)thioxanthen-9-one Openeye Name: 2,3-dimethoxy-6-(3-morpholinopropylamino)thioxanthen-9-one CAS Name: 2,3-dimethoxy-6-[3-(4-morpholinyl)propylamino]-9-thioxanthenone IUPAC Name: 2,3-dimethoxy-6-(3-morpholin-4-ylpropylamino)thioxanthen-9-one Traditional Name: 2,3-dimethoxy-6-(3-morpholinopropylamino)thioxanthen-9-one Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3)NCCCN4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3)NCCCN4CCOCC4)OC

InChI

InChI=1S/C22H26N2O4S/c1-26-18-13-17-21(14-19(18)27-2)29-20-12-15(4-5-16(20)22(17)25)23-6-3-7-24-8-10-28-11-9-24/h4-5,12-14,23H,3,6-11H2,1-2H3