N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: 2-morpholino-5-nitro-N-[(4S)-thiochroman-4-yl]benzamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: 2-morpholino-5-nitro-N-[(4S)-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=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C20H21N3O4S/c24-20(21-17-7-12-28-19-4-2-1-3-15(17)19)16-13-14(23(25)26)5-6-18(16)22-8-10-27-11-9-22/h1-6,13,17H,7-12H2,(H,21,24)/t17-/m0/s1