N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide

Systemtic Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide Openeye Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide CAS Name: N-[2-[(3-chlorophenyl)methylthio]ethyl]-4-(1-pyrrolidinylmethyl)benzamide IUPAC Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide Traditional Name: N-[2-[(3-chlorobenzyl)thio]ethyl]-4-(pyrrolidinomethyl)benzamide Formula: C21H25ClN2OS MolecularWeight: 388.954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)C(=O)NCCSCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)C(=O)NCCSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H25ClN2OS/c22-20-5-3-4-18(14-20)16-26-13-10-23-21(25)19-8-6-17(7-9-19)15-24-11-1-2-12-24/h3-9,14H,1-2,10-13,15-16H2,(H,23,25)