2-chloranyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-5-nitro-benzamide CAS Name: 2-chloro-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-5-nitro-benzamide Formula: C21H21ClN4O5S MolecularWeight: 476.93324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CCN3CCOCC3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CCN3CCOCC3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H21ClN4O5S/c1-30-15-3-5-19-18(13-15)23-21(32-19)25(7-6-24-8-10-31-11-9-24)20(27)16-12-14(26(28)29)2-4-17(16)22/h2-5,12-13H,6-11H2,1H3