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

Systemtic Name: 4-(diethylamino)-1-[7-[4-(diethylamino)butanoyl]-9H-thioxanthen-2-yl]butan-1-one Openeye Name: 4-(diethylamino)-1-[7-[4-(diethylamino)butanoyl]-9H-thioxanthen-2-yl]butan-1-one CAS Name: 4-(diethylamino)-1-[7-[4-(diethylamino)-1-oxobutyl]-9H-thioxanthen-2-yl]-1-butanone IUPAC Name: 4-(diethylamino)-1-[7-[4-(diethylamino)butanoyl]-9H-thioxanthen-2-yl]butan-1-one Traditional Name: 4-(diethylamino)-1-[7-[4-(diethylamino)butanoyl]-9H-thioxanthen-2-yl]butan-1-one Formula: C29H40N2O2S MolecularWeight: 480.7051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O2S/c1-5-30(6-2)17-9-11-26(32)22-13-15-28-24(19-22)21-25-20-23(14-16-29(25)34-28)27(33)12-10-18-31(7-3)8-4/h13-16,19-20H,5-12,17-18,21H2,1-4H3