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

Systemtic Name: methyl 2-[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H26BrN3O3S MolecularWeight: 528.46124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrN3O3S/c1-32-25(31)21-15-22(19-7-3-2-4-8-19)33-24(21)27-23(30)17-29-12-10-28(11-13-29)16-18-6-5-9-20(26)14-18/h2-9,14-15H,10-13,16-17H2,1H3,(H,27,30)