N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[(2R)-2-(dimethylamino)-2-(2-furyl)ethyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[(2R)-2-(dimethylamino)-2-(2-furanyl)ethyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[(2R)-2-(dimethylamino)-2-(2-furyl)ethyl]-4-(methylthio)-3-nitro-benzamide Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-])C2=CC=CO2

Isomeric SMILES

CN(C)[C@H](CNC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-])C2=CC=CO2

InChI

InChI=1S/C16H19N3O4S/c1-18(2)13(14-5-4-8-23-14)10-17-16(20)11-6-7-15(24-3)12(9-11)19(21)22/h4-9,13H,10H2,1-3H3,(H,17,20)/t13-/m1/s1