1-(1,3-benzothiazol-2-ylmethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-(1,3-benzothiazol-2-ylmethylamino)-3-(2-isopropylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-(1,3-benzothiazol-2-ylmethylamino)-3-(2-propan-2-ylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-(1,3-benzothiazol-2-ylmethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-(1,3-benzothiazol-2-ylmethylamino)-3-(2-isopropylphenoxy)propan-2-ol; oxalic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(CNCC2=NC3=CC=CC=C3S2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(CNCC2=NC3=CC=CC=C3S2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O2S.C2H2O4/c1-14(2)16-7-3-5-9-18(16)24-13-15(23)11-21-12-20-22-17-8-4-6-10-19(17)25-20;3-1(4)2(5)6/h3-10,14-15,21,23H,11-13H2,1-2H3;(H,3,4)(H,5,6)