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

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

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