N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide Openeye Name: N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide CAS Name: N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide IUPAC Name: N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide Traditional Name: N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H26N4O3S/c1-5-24(6-2)11-12-25(21(27)17-9-7-8-10-19(17)26(28)29)22-23-18-13-15(3)16(4)14-20(18)30-22/h7-10,13-14H,5-6,11-12H2,1-4H3