2-(4-nitrophenyl)sulfanyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]propanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]propanamide Openeye Name: N-[[3-(benzyloxymethyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]propanamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]propanamide Traditional Name: N-[3-(benzoxymethyl)benzyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=CC=C1)COCC2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC(=CC=C1)COCC2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H24N2O4S/c1-18(31-23-12-10-22(11-13-23)26(28)29)24(27)25-15-20-8-5-9-21(14-20)17-30-16-19-6-3-2-4-7-19/h2-14,18H,15-17H2,1H3,(H,25,27)