2-(4-tert-butylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 2-(4-tert-butylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-(4-tert-butylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-(4-tert-butylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(4-tert-butylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-(4-tert-butylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H21N3O4S/c1-12(27-15-8-5-13(6-9-15)20(2,3)4)18(24)22-19-21-16-10-7-14(23(25)26)11-17(16)28-19/h5-12H,1-4H3,(H,21,22,24)