4-(diethylamino)-1-[5-[4-(diethylamino)butanoyl]-9H-thioxanthen-2-yl]butan-1-one

Systemtic Name: 4-(diethylamino)-1-[5-[4-(diethylamino)butanoyl]-9H-thioxanthen-2-yl]butan-1-one Openeye Name: 4-(diethylamino)-1-[5-[4-(diethylamino)butanoyl]-9H-thioxanthen-2-yl]butan-1-one CAS Name: 4-(diethylamino)-1-[5-[4-(diethylamino)-1-oxobutyl]-9H-thioxanthen-2-yl]-1-butanone IUPAC Name: 4-(diethylamino)-1-[5-[4-(diethylamino)butanoyl]-9H-thioxanthen-2-yl]butan-1-one Traditional Name: 4-(diethylamino)-1-[5-[4-(diethylamino)butanoyl]-9H-thioxanthen-2-yl]butan-1-one Formula: C29H40N2O2S MolecularWeight: 480.7051

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(=O)C1=CC2=C(C=C1)SC3=C(C=CC=C3C2)C(=O)CCCN(CC)CC

Isomeric SMILES

CCN(CC)CCCC(=O)C1=CC2=C(C=C1)SC3=C(C=CC=C3C2)C(=O)CCCN(CC)CC

InChI

InChI=1S/C29H40N2O2S/c1-5-30(6-2)18-10-14-26(32)22-16-17-28-24(20-22)21-23-12-9-13-25(29(23)34-28)27(33)15-11-19-31(7-3)8-4/h9,12-13,16-17,20H,5-8,10-11,14-15,18-19,21H2,1-4H3