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

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-nitro-benzamide Openeye Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-nitro-benzamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-4-nitrobenzamide IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-nitrobenzamide Traditional Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-nitro-benzamide Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN(C2=NC3=C(C=CC=C3S2)F)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCN(C2=NC3=C(C=CC=C3S2)F)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21FN4O4S/c22-17-3-1-4-18-19(17)23-21(31-18)25(10-2-9-24-11-13-30-14-12-24)20(27)15-5-7-16(8-6-15)26(28)29/h1,3-8H,2,9-14H2