9-[4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]butyl]-N-[2,2,2-tris(fluoranyl)ethyl]xanthene-9-carboxamide

Systemtic Name: 9-[4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]butyl]-N-[2,2,2-tris(fluoranyl)ethyl]xanthene-9-carboxamide Openeye Name: 9-[4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]butyl]-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide CAS Name: 9-[4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]butyl]-N-(2,2,2-trifluoroethyl)-9-xanthenecarboxamide IUPAC Name: 9-[4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]butyl]-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide Traditional Name: 9-[4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]butyl]-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide Formula: C32H33F3N4O2S MolecularWeight: 594.69023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC3=CC=CC=C3S2)CCCCC4(C5=CC=CC=C5OC6=CC=CC=C64)C(=O)NCC(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C2=NC3=CC=CC=C3S2)CCCCC4(C5=CC=CC=C5OC6=CC=CC=C64)C(=O)NCC(F)(F)F

InChI

InChI=1S/C32H33F3N4O2S/c33-32(34,35)22-36-29(40)31(23-10-1-4-13-26(23)41-27-14-5-2-11-24(27)31)16-7-8-17-38-18-9-19-39(21-20-38)30-37-25-12-3-6-15-28(25)42-30/h1-6,10-15H,7-9,16-22H2,(H,36,40)