N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[2-(diethylaminomethyl)benzyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O3S/c1-3-22(4-2)14-17-8-6-5-7-16(17)13-21-20(24)15-27-19-11-9-18(10-12-19)23(25)26/h5-12H,3-4,13-15H2,1-2H3,(H,21,24)