2-[4-[4-(5-bromanylthiophen-2-yl)butanoyl]piperazin-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[4-(5-bromanylthiophen-2-yl)butanoyl]piperazin-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[4-(5-bromo-2-thienyl)butanoyl]piperazin-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[4-(5-bromo-2-thiophenyl)-1-oxobutyl]-1-piperazinyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[4-(5-bromothiophen-2-yl)butanoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[4-(5-bromo-2-thienyl)butanoyl]piperazino]-N-(p-tolyl)acetamide Formula: C21H26BrN3O2S MolecularWeight: 464.41904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)CCCC3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)CCCC3=CC=C(S3)Br

InChI

InChI=1S/C21H26BrN3O2S/c1-16-5-7-17(8-6-16)23-20(26)15-24-11-13-25(14-12-24)21(27)4-2-3-18-9-10-19(22)28-18/h5-10H,2-4,11-15H2,1H3,(H,23,26)