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

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(methylamino)-5-nitro-benzamide Openeye Name: 2-(methylamino)-5-nitro-N-thiochroman-4-yl-benzamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-(methylamino)-5-nitrobenzamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(methylamino)-5-nitrobenzamide Traditional Name: 2-(methylamino)-5-nitro-N-thiochroman-4-yl-benzamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CCSC3=CC=CC=C23

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CCSC3=CC=CC=C23

InChI

InChI=1S/C17H17N3O3S/c1-18-14-7-6-11(20(22)23)10-13(14)17(21)19-15-8-9-24-16-5-3-2-4-12(15)16/h2-7,10,15,18H,8-9H2,1H3,(H,19,21)