N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-])C2=CC(=CC=C2)OC

Isomeric SMILES

CCN(CC)C(CNC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-])C2=CC(=CC=C2)OC

InChI

InChI=1S/C21H27N3O4S/c1-4-23(5-2)20(16-7-6-8-18(13-16)28-3)14-22-21(25)15-29-19-11-9-17(10-12-19)24(26)27/h6-13,20H,4-5,14-15H2,1-3H3,(H,22,25)