N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C(C)C)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C(C)C)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C22H28N2O5S/c1-5-28-19-12-7-16(13-20(19)29-6-2)22(15(3)4)23-21(25)14-30-18-10-8-17(9-11-18)24(26)27/h7-13,15,22H,5-6,14H2,1-4H3,(H,23,25)