N-(6-butyl-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-morpholino-5-nitro-benzamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-morpholino-5-nitro-benzamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H24N4O4S/c1-2-3-4-15-5-7-18-20(13-15)31-22(23-18)24-21(27)17-14-16(26(28)29)6-8-19(17)25-9-11-30-12-10-25/h5-8,13-14H,2-4,9-12H2,1H3,(H,23,24,27)