pyrrolidin-1-yl-[4-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanylmethyl]phenyl]methanone

Systemtic Name: pyrrolidin-1-yl-[4-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanylmethyl]phenyl]methanone Openeye Name: [4-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[[4-(pyrrolidine-1-carbonyl)benzyl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C24H28N2O2S/c27-23(25-13-1-2-14-25)21-9-5-19(6-10-21)17-29-18-20-7-11-22(12-8-20)24(28)26-15-3-4-16-26/h5-12H,1-4,13-18H2