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

Systemtic Name: N-(4-nitrophenyl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(4-nitrophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-propanamide CAS Name: N-(4-nitrophenyl)-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]propanamide IUPAC Name: N-(4-nitrophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide Traditional Name: N-(4-nitrophenyl)-2-[[3-[(2-phenylacetyl)amino]phenyl]thio]propionamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4S/c1-16(23(28)25-18-10-12-20(13-11-18)26(29)30)31-21-9-5-8-19(15-21)24-22(27)14-17-6-3-2-4-7-17/h2-13,15-16H,14H2,1H3,(H,24,27)(H,25,28)