N-[3-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]cyclohexanecarboxamide

Systemtic Name: N-[3-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[3-[2-(2-methyl-5-nitro-anilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]cyclohexanecarboxamide CAS Name: N-[3-[[2-(2-methyl-5-nitroanilino)-2-oxo-1-phenylethyl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[2-(2-methyl-5-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[3-[[2-keto-2-(2-methyl-5-nitro-anilino)-1-phenyl-ethyl]thio]phenyl]cyclohexanecarboxamide Formula: C28H29N3O4S MolecularWeight: 503.61256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C28H29N3O4S/c1-19-15-16-23(31(34)35)18-25(19)30-28(33)26(20-9-4-2-5-10-20)36-24-14-8-13-22(17-24)29-27(32)21-11-6-3-7-12-21/h2,4-5,8-10,13-18,21,26H,3,6-7,11-12H2,1H3,(H,29,32)(H,30,33)