2-(diethylamino)-N-(3,4-dihydro-2H-thiochromen-4-yl)-5-nitro-benzamide

Systemtic Name: 2-(diethylamino)-N-(3,4-dihydro-2H-thiochromen-4-yl)-5-nitro-benzamide Openeye Name: 2-(diethylamino)-5-nitro-N-thiochroman-4-yl-benzamide CAS Name: 2-(diethylamino)-N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-5-nitrobenzamide IUPAC Name: 2-(diethylamino)-N-(3,4-dihydro-2H-thiochromen-4-yl)-5-nitrobenzamide Traditional Name: 2-(diethylamino)-5-nitro-N-thiochroman-4-yl-benzamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CCSC3=CC=CC=C23

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CCSC3=CC=CC=C23

InChI

InChI=1S/C20H23N3O3S/c1-3-22(4-2)18-10-9-14(23(25)26)13-16(18)20(24)21-17-11-12-27-19-8-6-5-7-15(17)19/h5-10,13,17H,3-4,11-12H2,1-2H3,(H,21,24)