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

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(2-methoxyethylamino)-3-nitro-benzamide Openeye Name: 4-(2-methoxyethylamino)-3-nitro-N-thiochroman-4-yl-benzamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide Traditional Name: 4-(2-methoxyethylamino)-3-nitro-N-thiochroman-4-yl-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)NC2CCSC3=CC=CC=C23)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)NC2CCSC3=CC=CC=C23)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-26-10-9-20-16-7-6-13(12-17(16)22(24)25)19(23)21-15-8-11-27-18-5-3-2-4-14(15)18/h2-7,12,15,20H,8-11H2,1H3,(H,21,23)