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

Systemtic Name: 1-[4-(1-adamantyl)phenoxy]-3-(1,3-benzothiazol-2-ylamino)propan-2-ol Openeye Name: 1-[4-(1-adamantyl)phenoxy]-3-(1,3-benzothiazol-2-ylamino)propan-2-ol CAS Name: 1-[4-(1-adamantyl)phenoxy]-3-(1,3-benzothiazol-2-ylamino)-2-propanol IUPAC Name: 1-[4-(1-adamantyl)phenoxy]-3-(1,3-benzothiazol-2-ylamino)propan-2-ol Traditional Name: 1-[4-(1-adamantyl)phenoxy]-3-(1,3-benzothiazol-2-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=NC6=CC=CC=C6S5)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(CNC5=NC6=CC=CC=C6S5)O

InChI

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