N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-nitro-benzamide

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-nitro-benzamide Openeye Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-nitro-benzamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-nitrobenzamide IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-nitrobenzamide Traditional Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-nitro-benzamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5S/c1-23(2)12-7-13-24(20(26)14-8-5-6-9-15(14)25(27)28)21-22-18-16(29-3)10-11-17(30-4)19(18)31-21/h5-6,8-11H,7,12-13H2,1-4H3