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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-morpholino-5-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-morpholino-5-nitro-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C20H20N4O4S/c1-22(13-19-21-16-4-2-3-5-18(16)29-19)20(25)15-12-14(24(26)27)6-7-17(15)23-8-10-28-11-9-23/h2-7,12H,8-11,13H2,1H3