1-[3-(diethylamino)propylamino]-2-methoxy-4-methyl-thioxanthen-9-one

Systemtic Name: 1-[3-(diethylamino)propylamino]-2-methoxy-4-methyl-thioxanthen-9-one Openeye Name: 1-[3-(diethylamino)propylamino]-2-methoxy-4-methyl-thioxanthen-9-one CAS Name: 1-[3-(diethylamino)propylamino]-2-methoxy-4-methyl-9-thioxanthenone IUPAC Name: 1-[3-(diethylamino)propylamino]-2-methoxy-4-methylthioxanthen-9-one Traditional Name: 1-[3-(diethylamino)propylamino]-2-methoxy-4-methyl-thioxanthen-9-one Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3S2)C)OC

Isomeric SMILES

CCN(CC)CCCNC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3S2)C)OC

InChI

InChI=1S/C22H28N2O2S/c1-5-24(6-2)13-9-12-23-20-17(26-4)14-15(3)22-19(20)21(25)16-10-7-8-11-18(16)27-22/h7-8,10-11,14,23H,5-6,9,12-13H2,1-4H3