1-[4-(1-adamantyl)phenoxy]-3-(1,3-benzothiazol-6-ylamino)propan-2-ol

Systemtic Name: 1-[4-(1-adamantyl)phenoxy]-3-(1,3-benzothiazol-6-ylamino)propan-2-ol Openeye Name: 1-[4-(1-adamantyl)phenoxy]-3-(1,3-benzothiazol-6-ylamino)propan-2-ol CAS Name: 1-[4-(1-adamantyl)phenoxy]-3-(1,3-benzothiazol-6-ylamino)-2-propanol IUPAC Name: 1-[4-(1-adamantyl)phenoxy]-3-(1,3-benzothiazol-6-ylamino)propan-2-ol Traditional Name: 1-[4-(1-adamantyl)phenoxy]-3-(1,3-benzothiazol-6-ylamino)propan-2-ol Formula: C26H30N2O2S MolecularWeight: 434.5936

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(CNC5=CC6=C(C=C5)N=CS6)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(CNC5=CC6=C(C=C5)N=CS6)O

InChI

InChI=1S/C26H30N2O2S/c29-22(14-27-21-3-6-24-25(10-21)31-16-28-24)15-30-23-4-1-20(2-5-23)26-11-17-7-18(12-26)9-19(8-17)13-26/h1-6,10,16-19,22,27,29H,7-9,11-15H2