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

Systemtic Name: 5-[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxamide Openeye Name: 5-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxamide CAS Name: 5-[[2-[4-[(3-bromophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxamide IUPAC Name: 5-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-cyano-3-methylthiophene-2-carboxamide Traditional Name: 5-[[2-[4-(3-bromobenzyl)piperazino]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxamide Formula: C20H22BrN5O2S MolecularWeight: 476.38998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Br)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Br)C(=O)N

InChI

InChI=1S/C20H22BrN5O2S/c1-13-16(10-22)20(29-18(13)19(23)28)24-17(27)12-26-7-5-25(6-8-26)11-14-3-2-4-15(21)9-14/h2-4,9H,5-8,11-12H2,1H3,(H2,23,28)(H,24,27)