2-[4-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazin-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]-1-piperazinyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[4-[[(4-chlorophenyl)thio]methyl]benzoyl]piperazino]-N-isopropyl-acetamide Formula: C23H28ClN3O2S MolecularWeight: 446.00532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)NC(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H28ClN3O2S/c1-17(2)25-22(28)15-26-11-13-27(14-12-26)23(29)19-5-3-18(4-6-19)16-30-21-9-7-20(24)8-10-21/h3-10,17H,11-16H2,1-2H3,(H,25,28)