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

Systemtic Name: N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide IUPAC Name: N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-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)10-11-25(21(27)17-8-7-9-18(14-17)26(28)29)22-23-19-12-15(3)16(4)13-20(19)30-22/h7-9,12-14H,5-6,10-11H2,1-4H3