N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitro-benzamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitro-benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-nitro-benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-3-nitrobenzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-nitro-benzamide Formula: C20H19BrN4O4S MolecularWeight: 491.35826

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN(C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCN(C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19BrN4O4S/c21-15-4-5-17-18(13-15)30-20(22-17)24(7-6-23-8-10-29-11-9-23)19(26)14-2-1-3-16(12-14)25(27)28/h1-5,12-13H,6-11H2