N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide hydrochloride

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide hydrochloride Openeye Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide hydrochloride CAS Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide hydrochloride IUPAC Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide hydrochloride Traditional Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide hydrochloride Formula: C22H27ClN4O4S MolecularWeight: 478.99218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S.ClH/c1-4-24(5-2)13-14-25(21(27)16-9-7-10-17(15-16)26(28)29)22-23-20-18(30-6-3)11-8-12-19(20)31-22;/h7-12,15H,4-6,13-14H2,1-3H3;1H