N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-dinitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-dinitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3,5-dinitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-3,5-dinitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-dinitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3,5-dinitro-benzamide Formula: C20H19N5O6S MolecularWeight: 457.45976

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O6S/c26-19(14-11-15(24(27)28)13-16(12-14)25(29)30)23(6-5-22-7-9-31-10-8-22)20-21-17-3-1-2-4-18(17)32-20/h1-4,11-13H,5-10H2