N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(2-thienylmethyl)piperazin-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(2-thenyl)piperazino]acetamide Formula: C22H28N4OS MolecularWeight: 396.54892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CN2CCN(CC2)CC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CN2CCN(CC2)CC3=CC=CS3)C

InChI

InChI=1S/C22H28N4OS/c1-18-13-19(2)15-20(14-18)26(7-4-6-23)22(27)17-25-10-8-24(9-11-25)16-21-5-3-12-28-21/h3,5,12-15H,4,7-11,16-17H2,1-2H3