N-[3-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[3-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[3-[[2-(4-bromoanilino)-2-oxoethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[[2-(4-bromoanilino)-2-keto-ethyl]thio]phenyl]-4-nitro-benzamide Formula: C21H16BrN3O4S MolecularWeight: 486.33844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC(=O)NC2=CC=C(C=C2)Br)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)SCC(=O)NC2=CC=C(C=C2)Br)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16BrN3O4S/c22-15-6-8-16(9-7-15)23-20(26)13-30-19-3-1-2-17(12-19)24-21(27)14-4-10-18(11-5-14)25(28)29/h1-12H,13H2,(H,23,26)(H,24,27)