N-[2-thiomorpholin-4-yl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: N-[2-thiomorpholin-4-yl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[2-thiomorpholino-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]acetamide CAS Name: N-[2-thiomorpholin-4-yl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: N-[2-thiomorpholin-4-yl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[2-thiomorpholino-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]acetamide Formula: C22H33N3O2S2 MolecularWeight: 435.64632

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=C(C=C2C(=C1)N=C(S2)N3CCSCC3)NC(=O)C)CC(C)(C)C

Isomeric SMILES

CC(CCOC1=C(C=C2C(=C1)N=C(S2)N3CCSCC3)NC(=O)C)CC(C)(C)C

InChI

InChI=1S/C22H33N3O2S2/c1-15(14-22(3,4)5)6-9-27-19-12-18-20(13-17(19)23-16(2)26)29-21(24-18)25-7-10-28-11-8-25/h12-13,15H,6-11,14H2,1-5H3,(H,23,26)