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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3,5-dinitro-benzamide hydrochloride Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3,5-dinitro-benzamide hydrochloride CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3,5-dinitrobenzamide hydrochloride IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3,5-dinitrobenzamide hydrochloride Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3,5-dinitro-benzamide hydrochloride Formula: C18H18ClN5O5S MolecularWeight: 451.88402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O5S.ClH/c1-20(2)7-8-21(18-19-15-5-3-4-6-16(15)29-18)17(24)12-9-13(22(25)26)11-14(10-12)23(27)28;/h3-6,9-11H,7-8H2,1-2H3;1H