2-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-benzamide CAS Name: 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-benzamide Formula: C23H25ClN4O5S MolecularWeight: 504.9864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H25ClN4O5S/c1-2-33-17-5-7-20-21(15-17)34-23(25-20)27(9-3-8-26-10-12-32-13-11-26)22(29)18-14-16(28(30)31)4-6-19(18)24/h4-7,14-15H,2-3,8-13H2,1H3