N-[4-[1-[(2-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[4-[1-[(2-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[4-[2-(2-bromoanilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[4-[[1-(2-bromoanilino)-1-oxopropan-2-yl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[1-(2-bromoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[4-[[2-(2-bromoanilino)-2-keto-1-methyl-ethyl]thio]phenyl]-4-nitro-benzamide Formula: C22H18BrN3O4S MolecularWeight: 500.36502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Br)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1Br)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18BrN3O4S/c1-14(21(27)25-20-5-3-2-4-19(20)23)31-18-12-8-16(9-13-18)24-22(28)15-6-10-17(11-7-15)26(29)30/h2-14H,1H3,(H,24,28)(H,25,27)