N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide

Systemtic Name: N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[3-[1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]sulfanylphenyl]cyclohexanecarboxamide CAS Name: N-[3-[[1-(4-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[1-(4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[3-[[2-keto-1-methyl-2-(4-nitroanilino)ethyl]thio]phenyl]cyclohexanecarboxamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C22H25N3O4S/c1-15(21(26)23-17-10-12-19(13-11-17)25(28)29)30-20-9-5-8-18(14-20)24-22(27)16-6-3-2-4-7-16/h5,8-16H,2-4,6-7H2,1H3,(H,23,26)(H,24,27)