N-(6-nitro-1,3-benzothiazol-2-yl)-4-pentoxy-benzamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-pentoxy-benzamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-pentoxy-benzamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-pentoxybenzamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-pentoxybenzamide Traditional Name: 4-amoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S/c1-2-3-4-11-26-15-8-5-13(6-9-15)18(23)21-19-20-16-10-7-14(22(24)25)12-17(16)27-19/h5-10,12H,2-4,11H2,1H3,(H,20,21,23)