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

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-pentoxy-benzamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-pentoxy-benzamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-pentoxybenzamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-pentoxybenzamide Traditional Name: 4-amoxy-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21N3O5S/c1-3-4-5-10-28-15-8-6-13(7-9-15)19(24)22-20-21-18-16(27-2)11-14(23(25)26)12-17(18)29-20/h6-9,11-12H,3-5,10H2,1-2H3,(H,21,22,24)