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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

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