DIOX2_019387
Molecular Formula:
C43H39N3O6S
InChI: InChI=1/C43H39N3O6S/c47-28-30-12-14-33(15-13-30)40-26-39(29-53-41-11-4-5-24-46(41)49)51-42(52-40)34-18-16-32(17-19-34)35-8-6-7-31(25-35)27-44-43(48)45-36-20-22-38(23-21-36)50-37-9-2-1-3-10-37/h1-25,39-40,42,47H,26-29H2,(H2,44,45,48)/t39-,40+,42+/m1/s1/f/h44-45H
InChIKey: InChIKey=MYKIDIRTRFQNTD-JEOCTAJKDL
SMILES: C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC(=CC=C4)CNC(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6)CSC7=CC=CC=[N+]7[O-]
Names:
DIOX2_019387
1-[[3-[4-[(2S,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[(1-oxidopyridin-6-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-3-(4-phenoxyphenyl)urea
Registries:
PubChem CID 6700549
PubChem ID 11326386
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