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

Systemtic Name: N-(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-morpholino-5-nitro-benzamide CAS Name: N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-morpholino-5-nitro-benzamide Formula: C19H17ClN4O5S MolecularWeight: 448.88008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)SC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)SC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)Cl

InChI

InChI=1S/C19H17ClN4O5S/c1-28-16-10-17-14(9-13(16)20)21-19(30-17)22-18(25)12-8-11(24(26)27)2-3-15(12)23-4-6-29-7-5-23/h2-3,8-10H,4-7H2,1H3,(H,21,22,25)