N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O3S/c1-4-15-10-11-17-19(14-15)29-21(22-17)24(13-7-12-23(2)3)20(26)16-8-5-6-9-18(16)25(27)28/h5-6,8-11,14H,4,7,12-13H2,1-3H3