3,6-bis(3-piperidin-1-ylpropylsulfanyl)xanthen-9-one

Systemtic Name: 3,6-bis(3-piperidin-1-ylpropylsulfanyl)xanthen-9-one Openeye Name: 3,6-bis[3-(1-piperidyl)propylsulfanyl]xanthen-9-one CAS Name: 3,6-bis[3-(1-piperidinyl)propylthio]-9-xanthenone IUPAC Name: 3,6-bis(3-piperidin-1-ylpropylsulfanyl)xanthen-9-one Traditional Name: 3,6-bis(3-piperidinopropylthio)xanthone Formula: C29H38N2O2S2 MolecularWeight: 510.75422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCSC2=CC3=C(C=C2)C(=O)C4=C(O3)C=C(C=C4)SCCCN5CCCCC5

Isomeric SMILES

C1CCN(CC1)CCCSC2=CC3=C(C=C2)C(=O)C4=C(O3)C=C(C=C4)SCCCN5CCCCC5

InChI

InChI=1S/C29H38N2O2S2/c32-29-25-11-9-23(34-19-7-17-30-13-3-1-4-14-30)21-27(25)33-28-22-24(10-12-26(28)29)35-20-8-18-31-15-5-2-6-16-31/h9-12,21-22H,1-8,13-20H2