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

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-(methylthio)-3-nitro-benzamide Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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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=CS2

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-])C2=CC=CS2

InChI

InChI=1S/C16H19N3O3S2/c1-18(2)13(15-5-4-8-24-15)10-17-16(20)11-6-7-14(23-3)12(9-11)19(21)22/h4-9,13H,10H2,1-3H3,(H,17,20)