N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(2-pyridylmethyl)piperazin-1-yl]acetamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-[4-(2-pyridinylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-[4-(2-pyridylmethyl)piperazino]acetamide Formula: C24H25ClN4OS MolecularWeight: 452.9995

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)CC(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)CC(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H25ClN4OS/c25-19-8-10-21(11-9-19)31-23-7-2-1-6-22(23)27-24(30)18-29-15-13-28(14-16-29)17-20-5-3-4-12-26-20/h1-12H,13-18H2,(H,27,30)