N-[3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]cyclohexanecarboxamide

Systemtic Name: N-[3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[3-[2-(4-nitroanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]cyclohexanecarboxamide CAS Name: N-[3-[[2-(4-nitroanilino)-2-oxo-1-phenylethyl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[2-(4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[3-[[2-keto-2-(4-nitroanilino)-1-phenyl-ethyl]thio]phenyl]cyclohexanecarboxamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N3O4S/c31-26(20-10-5-2-6-11-20)29-22-12-7-13-24(18-22)35-25(19-8-3-1-4-9-19)27(32)28-21-14-16-23(17-15-21)30(33)34/h1,3-4,7-9,12-18,20,25H,2,5-6,10-11H2,(H,28,32)(H,29,31)