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

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide Openeye Name: N-(2-diethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide CAS Name: N-(2-diethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide IUPAC Name: N-(2-diethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide Traditional Name: N-(2-diethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O3S/c1-4-23(5-2)12-13-24(20(26)16-8-6-7-9-18(16)25(27)28)21-22-17-11-10-15(3)14-19(17)29-21/h6-11,14H,4-5,12-13H2,1-3H3