N-[(3,5-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[(3,5-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[(3,5-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[(3,5-dimethoxyphenyl)methyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[(3,5-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(3,5-dimethoxybenzyl)-2-[(4-nitrophenyl)thio]propionamide Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=CC(=C1)OC)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC(=CC(=C1)OC)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5S/c1-12(26-17-6-4-14(5-7-17)20(22)23)18(21)19-11-13-8-15(24-2)10-16(9-13)25-3/h4-10,12H,11H2,1-3H3,(H,19,21)