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

Systemtic Name: ethyl 2-[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(3-bromophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(3-bromobenzyl)piperazino]acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H28BrN3O3S MolecularWeight: 542.48782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CC4=CC(=CC=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C26H28BrN3O3S/c1-2-33-26(32)22-16-23(20-8-4-3-5-9-20)34-25(22)28-24(31)18-30-13-11-29(12-14-30)17-19-7-6-10-21(27)15-19/h3-10,15-16H,2,11-14,17-18H2,1H3,(H,28,31)