N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitro-benzamide hydrochloride

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitro-benzamide hydrochloride Openeye Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-nitro-benzamide hydrochloride CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-3-nitrobenzamide hydrochloride IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide hydrochloride Traditional Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-nitro-benzamide hydrochloride Formula: C20H20ClFN4O4S MolecularWeight: 466.913603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN(C2=NC3=C(C=CC=C3S2)F)C(=O)C4=CC(=CC=C4)[N+](=O)[O-].Cl

Isomeric SMILES

C1COCCN1CCN(C2=NC3=C(C=CC=C3S2)F)C(=O)C4=CC(=CC=C4)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H19FN4O4S.ClH/c21-16-5-2-6-17-18(16)22-20(30-17)24(8-7-23-9-11-29-12-10-23)19(26)14-3-1-4-15(13-14)25(27)28;/h1-6,13H,7-12H2;1H