N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-isobutyl-2-morpholino-5-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-isobutyl-2-morpholino-5-nitro-benzamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC(C)CN(C1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H24N4O4S/c1-15(2)14-25(22-23-18-5-3-4-6-20(18)31-22)21(27)17-13-16(26(28)29)7-8-19(17)24-9-11-30-12-10-24/h3-8,13,15H,9-12,14H2,1-2H3