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

Systemtic Name: N-butyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-butyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-butyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-butyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-butyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O4S/c1-3-4-9-26(23-24-18-7-5-16(2)14-21(18)32-23)22(28)17-6-8-19(20(15-17)27(29)30)25-10-12-31-13-11-25/h5-8,14-15H,3-4,9-13H2,1-2H3