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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-nitro-benzamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-4-nitro-benzamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-4-nitrobenzamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-4-nitro-benzamide Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O4S/c21-15-3-6-17-18(13-15)30-20(22-17)24(8-7-23-9-11-29-12-10-23)19(26)14-1-4-16(5-2-14)25(27)28/h1-6,13H,7-12H2