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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-nitro-benzamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-nitro-benzamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-3-nitrobenzamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-nitrobenzamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-nitro-benzamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4S/c1-16-5-2-8-19-20(16)23-22(31-19)25(10-4-9-24-11-13-30-14-12-24)21(27)17-6-3-7-18(15-17)26(28)29/h2-3,5-8,15H,4,9-14H2,1H3