N-(2-methyl-5-nitro-phenyl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-butanamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]butanamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-[[3-[(2-phenylacetyl)amino]phenyl]thio]butyramide Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O4S/c1-3-23(25(30)27-22-16-20(28(31)32)13-12-17(22)2)33-21-11-7-10-19(15-21)26-24(29)14-18-8-5-4-6-9-18/h4-13,15-16,23H,3,14H2,1-2H3,(H,26,29)(H,27,30)