N-[2-[[2-(4-chlorophenyl)-6-[4-[2-(4-chlorophenyl)sulfanylethanoyl]piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[2-(4-chlorophenyl)-6-[4-[2-(4-chlorophenyl)sulfanylethanoyl]piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[2-(4-chlorophenyl)-6-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[2-(4-chlorophenyl)-6-[4-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-1-piperazinyl]-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[2-(4-chlorophenyl)-6-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[2-(4-chlorophenyl)-6-[4-[2-[(4-chlorophenyl)thio]acetyl]piperazino]pyrimidin-4-yl]amino]ethyl]acetamide Formula: C26H28Cl2N6O2S MolecularWeight: 559.51052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H28Cl2N6O2S/c1-18(35)29-10-11-30-23-16-24(32-26(31-23)19-2-4-20(27)5-3-19)33-12-14-34(15-13-33)25(36)17-37-22-8-6-21(28)7-9-22/h2-9,16H,10-15,17H2,1H3,(H,29,35)(H,30,31,32)