3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]-N-[(1R,2S)-2-phenylcyclohexyl]propanamide

Systemtic Name: 3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]-N-[(1R,2S)-2-phenylcyclohexyl]propanamide Openeye Name: 3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxo-pyrrolidin-2-yl]-N-[(1R,2S)-2-phenylcyclohexyl]propanamide CAS Name: 3-[2-[[4-(methylthio)phenyl]methyl]-5-oxo-2-pyrrolidinyl]-N-[(1R,2S)-2-phenylcyclohexyl]propanamide IUPAC Name: 3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R,2S)-2-phenylcyclohexyl]propanamide Traditional Name: 3-[5-keto-2-[4-(methylthio)benzyl]pyrrolidin-2-yl]-N-[(1R,2S)-2-phenylcyclohexyl]propionamide Formula: C27H34N2O2S MolecularWeight: 450.63606

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC2(CCC(=O)N2)CCC(=O)NC3CCCCC3C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)CC2(CCC(=O)N2)CCC(=O)N[C@@H]3CCCC[C@H]3C4=CC=CC=C4

InChI

InChI=1S/C27H34N2O2S/c1-32-22-13-11-20(12-14-22)19-27(18-16-26(31)29-27)17-15-25(30)28-24-10-6-5-9-23(24)21-7-3-2-4-8-21/h2-4,7-8,11-14,23-24H,5-6,9-10,15-19H2,1H3,(H,28,30)(H,29,31)/t23-,24+,27?/m0/s1