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

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyl-4-nitro-benzamide Openeye Name: 3-methyl-4-nitro-N-thiochroman-4-yl-benzamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-methyl-4-nitrobenzamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyl-4-nitrobenzamide Traditional Name: 3-methyl-4-nitro-N-thiochroman-4-yl-benzamide Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2CCSC3=CC=CC=C23)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2CCSC3=CC=CC=C23)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O3S/c1-11-10-12(6-7-15(11)19(21)22)17(20)18-14-8-9-23-16-5-3-2-4-13(14)16/h2-7,10,14H,8-9H2,1H3,(H,18,20)