N-[3-[1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[3-[1-methyl-2-(1-naphthylamino)-2-oxo-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[3-[[1-(1-naphthalenylamino)-1-oxopropan-2-yl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[[2-keto-1-methyl-2-(1-naphthylamino)ethyl]thio]phenyl]-4-nitro-benzamide Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H21N3O4S/c1-17(25(30)28-24-11-4-7-18-6-2-3-10-23(18)24)34-22-9-5-8-20(16-22)27-26(31)19-12-14-21(15-13-19)29(32)33/h2-17H,1H3,(H,27,31)(H,28,30)