3-(diethylamino)-1-[5-[3-(diethylamino)propanoyl]-9H-thioxanthen-4-yl]propan-1-one

Systemtic Name: 3-(diethylamino)-1-[5-[3-(diethylamino)propanoyl]-9H-thioxanthen-4-yl]propan-1-one Openeye Name: 3-(diethylamino)-1-[5-[3-(diethylamino)propanoyl]-9H-thioxanthen-4-yl]propan-1-one CAS Name: 3-(diethylamino)-1-[5-[3-(diethylamino)-1-oxopropyl]-9H-thioxanthen-4-yl]-1-propanone IUPAC Name: 3-(diethylamino)-1-[5-[3-(diethylamino)propanoyl]-9H-thioxanthen-4-yl]propan-1-one Traditional Name: 3-(diethylamino)-1-[5-[3-(diethylamino)propanoyl]-9H-thioxanthen-4-yl]propan-1-one Formula: C27H36N2O2S MolecularWeight: 452.65194

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(=O)C1=C2C(=CC=C1)CC3=CC=CC(=C3S2)C(=O)CCN(CC)CC

Isomeric SMILES

CCN(CC)CCC(=O)C1=C2C(=CC=C1)CC3=CC=CC(=C3S2)C(=O)CCN(CC)CC

InChI

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