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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN(C2=NC3=C(S2)C=CC=C3Cl)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCN(C2=NC3=C(S2)C=CC=C3Cl)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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