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

Systemtic Name: N-[3-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[3-[2-(4-butoxyanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]cyclohexanecarboxamide CAS Name: N-[3-[[2-(4-butoxyanilino)-2-oxo-1-phenylethyl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[2-(4-butoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[3-[[2-(4-butoxyanilino)-2-keto-1-phenyl-ethyl]thio]phenyl]cyclohexanecarboxamide Formula: C31H36N2O3S MolecularWeight: 516.69414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4CCCCC4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C31H36N2O3S/c1-2-3-21-36-27-19-17-25(18-20-27)32-31(35)29(23-11-6-4-7-12-23)37-28-16-10-15-26(22-28)33-30(34)24-13-8-5-9-14-24/h4,6-7,10-12,15-20,22,24,29H,2-3,5,8-9,13-14,21H2,1H3,(H,32,35)(H,33,34)