9-[2-[5-[methyl(4-phenylbutyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol

Systemtic Name: 9-[2-[5-[methyl(4-phenylbutyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Openeye Name: 9-[2-[5-[methyl(4-phenylbutyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol CAS Name: 9-[2-[5-[methyl(4-phenylbutyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]-9-thioxanthenol IUPAC Name: 9-[2-[5-[methyl(4-phenylbutyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Traditional Name: 9-[2-[5-[methyl(4-phenylbutyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Formula: C33H37NOS3 MolecularWeight: 559.84798

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC1=CC=CC=C1)CC#CCCC2(SCCCS2)C3(C4=CC=CC=C4SC5=CC=CC=C53)O

Isomeric SMILES

CN(CCCCC1=CC=CC=C1)CC#CCCC2(SCCCS2)C3(C4=CC=CC=C4SC5=CC=CC=C53)O

InChI

InChI=1S/C33H37NOS3/c1-34(24-13-10-17-27-15-4-2-5-16-27)23-12-3-11-22-32(36-25-14-26-37-32)33(35)28-18-6-8-20-30(28)38-31-21-9-7-19-29(31)33/h2,4-9,15-16,18-21,35H,10-11,13-14,17,22-26H2,1H3