N-(2-dimethylaminoethyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide hydrochloride

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide hydrochloride Openeye Name: N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-nitro-benzamide hydrochloride CAS Name: N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-nitrobenzamide hydrochloride IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-nitrobenzamide hydrochloride Traditional Name: N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-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=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

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

InChI

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