2-[2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]ethanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 2-[2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[[2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-yl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 2-[[2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[[2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[2-[4-[(5-bromo-2-thienyl)methyl]piperazino]acetyl]amino]-N-cyclopropyl-benzamide Formula: C21H25BrN4O2S MolecularWeight: 477.4178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=CC=C2NC(=O)CN3CCN(CC3)CC4=CC=C(S4)Br

Isomeric SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)CN3CCN(CC3)CC4=CC=C(S4)Br

InChI

InChI=1S/C21H25BrN4O2S/c22-19-8-7-16(29-19)13-25-9-11-26(12-10-25)14-20(27)24-18-4-2-1-3-17(18)21(28)23-15-5-6-15/h1-4,7-8,15H,5-6,9-14H2,(H,23,28)(H,24,27)