5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one

Systemtic Name: 5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one Openeye Name: 5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one CAS Name: 5-(dimethylamino)-1-[7-[5-(dimethylamino)-1-oxopentyl]-9H-thioxanthen-2-yl]-1-pentanone IUPAC Name: 5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one Traditional Name: 5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one Formula: C27H36N2O2S MolecularWeight: 452.65194

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCC(=O)C1=CC2=C(C=C1)SC3=C(C2)C=C(C=C3)C(=O)CCCCN(C)C

Isomeric SMILES

CN(C)CCCCC(=O)C1=CC2=C(C=C1)SC3=C(C2)C=C(C=C3)C(=O)CCCCN(C)C

InChI

InChI=1S/C27H36N2O2S/c1-28(2)15-7-5-9-24(30)20-11-13-26-22(17-20)19-23-18-21(12-14-27(23)32-26)25(31)10-6-8-16-29(3)4/h11-14,17-18H,5-10,15-16,19H2,1-4H3