6,6-bis(4-fluorophenyl)-1-[4-(9H-thioxanthen-9-yl)piperazin-1-yl]hexan-1-one

Systemtic Name: 6,6-bis(4-fluorophenyl)-1-[4-(9H-thioxanthen-9-yl)piperazin-1-yl]hexan-1-one Openeye Name: 6,6-bis(4-fluorophenyl)-1-[4-(9H-thioxanthen-9-yl)piperazin-1-yl]hexan-1-one CAS Name: 6,6-bis(4-fluorophenyl)-1-[4-(9H-thioxanthen-9-yl)-1-piperazinyl]-1-hexanone IUPAC Name: 6,6-bis(4-fluorophenyl)-1-[4-(9H-thioxanthen-9-yl)piperazin-1-yl]hexan-1-one Traditional Name: 6,6-bis(4-fluorophenyl)-1-[4-(9H-thioxanthen-9-yl)piperazino]hexan-1-one Formula: C35H34F2N2OS MolecularWeight: 568.719066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3=CC=CC=C3SC4=CC=CC=C24)C(=O)CCCCC(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F

Isomeric SMILES

C1CN(CCN1C2C3=CC=CC=C3SC4=CC=CC=C24)C(=O)CCCCC(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F

InChI

InChI=1S/C35H34F2N2OS/c36-27-17-13-25(14-18-27)29(26-15-19-28(37)20-16-26)7-3-6-12-34(40)38-21-23-39(24-22-38)35-30-8-1-4-10-32(30)41-33-11-5-2-9-31(33)35/h1-2,4-5,8-11,13-20,29,35H,3,6-7,12,21-24H2