N-(2-methyl-4-nitro-phenyl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-propanamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]propanamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-2-[[3-[(2-phenylacetyl)amino]phenyl]thio]propionamide Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H23N3O4S/c1-16-13-20(27(30)31)11-12-22(16)26-24(29)17(2)32-21-10-6-9-19(15-21)25-23(28)14-18-7-4-3-5-8-18/h3-13,15,17H,14H2,1-2H3,(H,25,28)(H,26,29)