5-pyrrolidin-1-yl-1-[7-(5-pyrrolidin-1-ylpentanoyl)-9H-thioxanthen-2-yl]pentan-1-one

Systemtic Name: 5-pyrrolidin-1-yl-1-[7-(5-pyrrolidin-1-ylpentanoyl)-9H-thioxanthen-2-yl]pentan-1-one Openeye Name: 5-pyrrolidin-1-yl-1-[7-(5-pyrrolidin-1-ylpentanoyl)-9H-thioxanthen-2-yl]pentan-1-one CAS Name: 1-[7-[1-oxo-5-(1-pyrrolidinyl)pentyl]-9H-thioxanthen-2-yl]-5-(1-pyrrolidinyl)-1-pentanone IUPAC Name: 5-pyrrolidin-1-yl-1-[7-(5-pyrrolidin-1-ylpentanoyl)-9H-thioxanthen-2-yl]pentan-1-one Traditional Name: 5-pyrrolidino-1-[7-(5-pyrrolidinopentanoyl)-9H-thioxanthen-2-yl]pentan-1-one Formula: C31H40N2O2S MolecularWeight: 504.7265

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCCC(=O)C2=CC3=C(C=C2)SC4=C(C3)C=C(C=C4)C(=O)CCCCN5CCCC5

Isomeric SMILES

C1CCN(C1)CCCCC(=O)C2=CC3=C(C=C2)SC4=C(C3)C=C(C=C4)C(=O)CCCCN5CCCC5

InChI

InChI=1S/C31H40N2O2S/c34-28(9-1-3-15-32-17-5-6-18-32)24-11-13-30-26(21-24)23-27-22-25(12-14-31(27)36-30)29(35)10-2-4-16-33-19-7-8-20-33/h11-14,21-22H,1-10,15-20,23H2