N-(2-dimethylaminoethyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide hydrochloride

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide hydrochloride Openeye Name: N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-benzamide hydrochloride CAS Name: N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitrobenzamide hydrochloride IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitrobenzamide hydrochloride Traditional Name: N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-benzamide hydrochloride Formula: C18H18ClFN4O3S MolecularWeight: 424.876923

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC(=CC=C3)[N+](=O)[O-].Cl

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC(=CC=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C18H17FN4O3S.ClH/c1-21(2)8-9-22(17(24)12-4-3-5-14(10-12)23(25)26)18-20-15-7-6-13(19)11-16(15)27-18;/h3-7,10-11H,8-9H2,1-2H3;1H