3-(diethylamino)-1-[5-[3-(diethylamino)propanoyl]-9H-thioxanthen-2-yl]propan-1-one

Systemtic Name: 3-(diethylamino)-1-[5-[3-(diethylamino)propanoyl]-9H-thioxanthen-2-yl]propan-1-one Openeye Name: 3-(diethylamino)-1-[5-[3-(diethylamino)propanoyl]-9H-thioxanthen-2-yl]propan-1-one CAS Name: 3-(diethylamino)-1-[5-[3-(diethylamino)-1-oxopropyl]-9H-thioxanthen-2-yl]-1-propanone IUPAC Name: 3-(diethylamino)-1-[5-[3-(diethylamino)propanoyl]-9H-thioxanthen-2-yl]propan-1-one Traditional Name: 3-(diethylamino)-1-[5-[3-(diethylamino)propanoyl]-9H-thioxanthen-2-yl]propan-1-one Formula: C27H36N2O2S MolecularWeight: 452.65194

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(=O)C1=CC2=C(C=C1)SC3=C(C=CC=C3C2)C(=O)CCN(CC)CC

Isomeric SMILES

CCN(CC)CCC(=O)C1=CC2=C(C=C1)SC3=C(C=CC=C3C2)C(=O)CCN(CC)CC

InChI

InChI=1S/C27H36N2O2S/c1-5-28(6-2)16-14-24(30)20-12-13-26-22(18-20)19-21-10-9-11-23(27(21)32-26)25(31)15-17-29(7-3)8-4/h9-13,18H,5-8,14-17,19H2,1-4H3