2-(4-nitrophenyl)sulfanyl-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-[4-(phenoxymethyl)benzyl]propionamide Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)COC2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)COC2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O4S/c1-17(30-22-13-11-20(12-14-22)25(27)28)23(26)24-15-18-7-9-19(10-8-18)16-29-21-5-3-2-4-6-21/h2-14,17H,15-16H2,1H3,(H,24,26)