N-(3,4-dihydro-2H-thiochromen-4-yl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: 4-morpholino-3-nitro-N-thiochroman-4-yl-benzamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: 4-morpholino-3-nitro-N-thiochroman-4-yl-benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CSC2=CC=CC=C2C1NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c24-20(21-16-7-12-28-19-4-2-1-3-15(16)19)14-5-6-17(18(13-14)23(25)26)22-8-10-27-11-9-22/h1-6,13,16H,7-12H2,(H,21,24)