N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide

Systemtic Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Openeye Name: N-(4-tert-butylthiazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide CAS Name: N-(4-tert-butyl-2-thiazolyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide IUPAC Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Traditional Name: N-(4-tert-butylthiazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionamide Formula: C19H25N3O5S2 MolecularWeight: 439.5489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H25N3O5S2/c1-19(2,3)16-12-28-18(21-16)22-17(23)7-8-20-29(24,25)13-5-6-14-15(11-13)27-10-4-9-26-14/h5-6,11-12,20H,4,7-10H2,1-3H3,(H,21,22,23)