N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-2-(2,3,5-trimethylphenoxy)ethanamide

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-2-(2,3,5-trimethylphenoxy)ethanamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]-2-(2,3,5-trimethylphenoxy)acetamide CAS Name: N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]-2-(2,3,5-trimethylphenoxy)acetamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(2,3,5-trimethylphenoxy)acetamide Traditional Name: N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]-2-(2,3,5-trimethylphenoxy)acetamide Formula: C22H31N3O2S MolecularWeight: 401.56544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC(=O)NCC(C2=CSC=C2)N3CCN(CC3)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCC(=O)NCC(C2=CSC=C2)N3CCN(CC3)C)C)C

InChI

InChI=1S/C22H31N3O2S/c1-16-11-17(2)18(3)21(12-16)27-14-22(26)23-13-20(19-5-10-28-15-19)25-8-6-24(4)7-9-25/h5,10-12,15,20H,6-9,13-14H2,1-4H3,(H,23,26)