N-[3-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]cyclohexanecarboxamide

Systemtic Name: N-[3-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[3-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]cyclohexanecarboxamide CAS Name: N-[3-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[3-[[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]thio]phenyl]cyclohexanecarboxamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC(=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC(=C2)NC(=O)C3CCCCC3

InChI

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