2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)ethanamide

Systemtic Name: 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)ethanamide Openeye Name: 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)acetamide CAS Name: 2-[4-[(3-bromophenyl)methyl]-1-piperazinyl]-N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)acetamide IUPAC Name: 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide Traditional Name: 2-[4-(3-bromobenzyl)piperazino]-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)acetamide Formula: C21H25BrN4OS MolecularWeight: 461.4184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Br)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C21H25BrN4OS/c1-3-18-15(2)28-21(19(18)12-23)24-20(27)14-26-9-7-25(8-10-26)13-16-5-4-6-17(22)11-16/h4-6,11H,3,7-10,13-14H2,1-2H3,(H,24,27)