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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanoylamino]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[[2-[4-(2-thienylmethyl)piperazin-1-yl]acetyl]amino]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[1-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethyl]amino]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetyl]amino]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[2-[4-(2-thenyl)piperazino]acetyl]amino]acetamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)CN2CCN(CC2)CC3=CC=CS3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)CN2CCN(CC2)CC3=CC=CS3)C

InChI

InChI=1S/C21H28N4O2S/c1-16-5-3-7-19(17(16)2)23-20(26)13-22-21(27)15-25-10-8-24(9-11-25)14-18-6-4-12-28-18/h3-7,12H,8-11,13-15H2,1-2H3,(H,22,27)(H,23,26)