N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3,5-dinitro-benzamide hydrochloride

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3,5-dinitro-benzamide hydrochloride Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3,5-dinitro-benzamide hydrochloride CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3,5-dinitrobenzamide hydrochloride IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3,5-dinitrobenzamide hydrochloride Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3,5-dinitro-benzamide hydrochloride Formula: C20H22ClN5O5S MolecularWeight: 479.93718

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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-])[N+](=O)[O-].Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O5S.ClH/c1-3-22(4-2)9-10-23(20-21-17-7-5-6-8-18(17)31-20)19(26)14-11-15(24(27)28)13-16(12-14)25(29)30;/h5-8,11-13H,3-4,9-10H2,1-2H3;1H