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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-nitro-benzamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-nitro-benzamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-4-nitrobenzamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-nitrobenzamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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