N-(6-nitro-1,3-benzothiazol-2-yl)-2-(3-propan-2-ylphenoxy)ethanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(3-propan-2-ylphenoxy)ethanamide Openeye Name: 2-(3-isopropylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(3-propan-2-ylphenoxy)acetamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(3-propan-2-ylphenoxy)acetamide Traditional Name: 2-(3-isopropylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C18H17N3O4S MolecularWeight: 371.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-11(2)12-4-3-5-14(8-12)25-10-17(22)20-18-19-15-7-6-13(21(23)24)9-16(15)26-18/h3-9,11H,10H2,1-2H3,(H,19,20,22)