4-morpholin-4-yl-3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-morpholino-3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-morpholino-3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4S/c23-17(20-18-19-13-3-1-2-4-16(13)27-18)12-5-6-14(15(11-12)22(24)25)21-7-9-26-10-8-21/h5-6,11H,1-4,7-10H2,(H,19,20,23)