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

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-propoxy-benzamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-propoxy-benzamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-propoxybenzamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-propoxybenzamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-propoxy-benzamide Formula: C17H15N3O4S MolecularWeight: 357.3837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-2-8-24-13-5-3-4-11(9-13)16(21)19-17-18-14-7-6-12(20(22)23)10-15(14)25-17/h3-7,9-10H,2,8H2,1H3,(H,18,19,21)