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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-nitro-benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3S/c1-3-22(4-2)13-14-23(20-21-16-10-6-8-12-18(16)28-20)19(25)15-9-5-7-11-17(15)24(26)27/h5-12H,3-4,13-14H2,1-2H3