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

Systemtic Name: 5-[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanoylamino]-4-cyano-N,N,3-trimethyl-thiophene-2-carboxamide Openeye Name: 5-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-cyano-N,N,3-trimethyl-thiophene-2-carboxamide CAS Name: 5-[[2-[4-[(3-bromophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-4-cyano-N,N,3-trimethyl-2-thiophenecarboxamide IUPAC Name: 5-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-cyano-N,N,3-trimethylthiophene-2-carboxamide Traditional Name: 5-[[2-[4-(3-bromobenzyl)piperazino]acetyl]amino]-4-cyano-N,N,3-trimethyl-thiophene-2-carboxamide Formula: C22H26BrN5O2S MolecularWeight: 504.44314

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN5O2S/c1-15-18(12-24)21(31-20(15)22(30)26(2)3)25-19(29)14-28-9-7-27(8-10-28)13-16-5-4-6-17(23)11-16/h4-6,11H,7-10,13-14H2,1-3H3,(H,25,29)