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

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-morpholino-5-nitro-benzamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-morpholino-5-nitro-benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c1-14(20-22-17-5-3-4-6-19(17)30-20)23(2)21(26)16-13-15(25(27)28)7-8-18(16)24-9-11-29-12-10-24/h3-8,13-14H,9-12H2,1-2H3