N-(4-bromanyl-2-methyl-phenyl)-2-[2-(4-nitrophenyl)sulfanylethanoylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-(4-nitrophenyl)sulfanylethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[(4-nitrophenyl)thio]acetyl]amino]acetamide Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrN3O4S/c1-11-8-12(18)2-7-15(11)20-16(22)9-19-17(23)10-26-14-5-3-13(4-6-14)21(24)25/h2-8H,9-10H2,1H3,(H,19,23)(H,20,22)