2-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]-N-[2-(methylthio)phenyl]acetamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C19H21N3O5S/c1-21(10-18(23)20-16-5-3-4-6-17(16)28-2)9-13-7-15(22(24)25)8-14-11-26-12-27-19(13)14/h3-8H,9-12H2,1-2H3,(H,20,23)