N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)ethanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)ethanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)acetamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[4-(1-oxopropyl)phenoxy]acetamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)acetamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-propionylphenoxy)acetamide Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5S/c1-2-15(22)11-3-6-13(7-4-11)26-10-17(23)20-18-19-14-8-5-12(21(24)25)9-16(14)27-18/h3-9H,2,10H2,1H3,(H,19,20,23)