(phenylmethyl) 2-[4-(4-chlorophenyl)phenyl]carbonyl-5-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)cyclopentane-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[4-(4-chlorophenyl)phenyl]carbonyl-5-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)cyclopentane-1-carboxylate Openeye Name: benzyl 2-[4-(4-chlorophenyl)benzoyl]-5-(pyrrolidine-1-carbothioylsulfanylmethyl)cyclopentanecarboxylate CAS Name: 2-[[4-(4-chlorophenyl)phenyl]-oxomethyl]-5-[[[1-pyrrolidinyl(sulfanylidene)methyl]thio]methyl]-1-cyclopentanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(4-chlorophenyl)benzoyl]-5-(pyrrolidine-1-carbothioylsulfanylmethyl)cyclopentane-1-carboxylate Traditional Name: 2-[4-(4-chlorophenyl)benzoyl]-5-[(pyrrolidine-1-carbothioylthio)methyl]cyclopentanecarboxylic acid benzyl ester Formula: C32H32ClNO3S2 MolecularWeight: 578.18438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC2CCC(C2C(=O)OCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(C1)C(=S)SCC2CCC(C2C(=O)OCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C32H32ClNO3S2/c33-27-15-12-24(13-16-27)23-8-10-25(11-9-23)30(35)28-17-14-26(21-39-32(38)34-18-4-5-19-34)29(28)31(36)37-20-22-6-2-1-3-7-22/h1-3,6-13,15-16,26,28-29H,4-5,14,17-21H2