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

Systemtic Name: 3-(4-tert-butylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(4-tert-butylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(4-tert-butylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4-tert-butylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(4-tert-butylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C20H21N3O3S MolecularWeight: 383.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-20(2,3)14-7-4-13(5-8-14)6-11-18(24)22-19-21-16-10-9-15(23(25)26)12-17(16)27-19/h4-5,7-10,12H,6,11H2,1-3H3,(H,21,22,24)