2-[2-chloranyl-4-[2-(4-nitrophenyl)sulfanylethanoylamino]phenoxy]-N,N-diethyl-ethanamide

Systemtic Name: 2-[2-chloranyl-4-[2-(4-nitrophenyl)sulfanylethanoylamino]phenoxy]-N,N-diethyl-ethanamide Openeye Name: 2-[2-chloro-4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]phenoxy]-N,N-diethyl-acetamide CAS Name: 2-[2-chloro-4-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]phenoxy]-N,N-diethylacetamide IUPAC Name: 2-[2-chloro-4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]phenoxy]-N,N-diethylacetamide Traditional Name: 2-[2-chloro-4-[[2-[(4-nitrophenyl)thio]acetyl]amino]phenoxy]-N,N-diethyl-acetamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCN(CC)C(=O)COC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H22ClN3O5S/c1-3-23(4-2)20(26)12-29-18-10-5-14(11-17(18)21)22-19(25)13-30-16-8-6-15(7-9-16)24(27)28/h5-11H,3-4,12-13H2,1-2H3,(H,22,25)