4-(diethylamino)-1-[7-[4-(diethylamino)-2-methyl-butanoyl]-9H-thioxanthen-2-yl]-2-methyl-butan-1-one

Systemtic Name: 4-(diethylamino)-1-[7-[4-(diethylamino)-2-methyl-butanoyl]-9H-thioxanthen-2-yl]-2-methyl-butan-1-one Openeye Name: 4-(diethylamino)-1-[7-[4-(diethylamino)-2-methyl-butanoyl]-9H-thioxanthen-2-yl]-2-methyl-butan-1-one CAS Name: 4-(diethylamino)-1-[7-[4-(diethylamino)-2-methyl-1-oxobutyl]-9H-thioxanthen-2-yl]-2-methyl-1-butanone IUPAC Name: 4-(diethylamino)-1-[7-[4-(diethylamino)-2-methylbutanoyl]-9H-thioxanthen-2-yl]-2-methylbutan-1-one Traditional Name: 4-(diethylamino)-1-[7-[4-(diethylamino)-2-methyl-butanoyl]-9H-thioxanthen-2-yl]-2-methyl-butan-1-one Formula: C31H44N2O2S MolecularWeight: 508.75826

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(C)C(=O)C1=CC2=C(C=C1)SC3=C(C2)C=C(C=C3)C(=O)C(C)CCN(CC)CC

Isomeric SMILES

CCN(CC)CCC(C)C(=O)C1=CC2=C(C=C1)SC3=C(C2)C=C(C=C3)C(=O)C(C)CCN(CC)CC

InChI

InChI=1S/C31H44N2O2S/c1-7-32(8-2)17-15-22(5)30(34)24-11-13-28-26(19-24)21-27-20-25(12-14-29(27)36-28)31(35)23(6)16-18-33(9-3)10-4/h11-14,19-20,22-23H,7-10,15-18,21H2,1-6H3