4-[2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[1-(1-naphthyl)ethylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[1-(1-naphthalenyl)ethylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[1-(1-naphthyl)ethylamino]ethyl]thio]-3-nitro-benzamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4S/c1-13(16-8-4-6-14-5-2-3-7-17(14)16)23-20(25)12-29-19-10-9-15(21(22)26)11-18(19)24(27)28/h2-11,13H,12H2,1H3,(H2,22,26)(H,23,25)