2-[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Openeye Name: 2-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxamide CAS Name: 2-[[2-[4-[(3-bromophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide Traditional Name: 2-[[2-[4-(3-bromobenzyl)piperazino]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxamide Formula: C21H27BrN4O2S MolecularWeight: 479.43368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN4O2S/c1-3-17-14(2)29-21(19(17)20(23)28)24-18(27)13-26-9-7-25(8-10-26)12-15-5-4-6-16(22)11-15/h4-6,11H,3,7-10,12-13H2,1-2H3,(H2,23,28)(H,24,27)