2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21N3O3S/c1-23(13-20-22-15-5-2-3-6-18(15)27-20)12-19(24)21-14-7-8-16-17(11-14)26-10-4-9-25-16/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,21,24)