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

Systemtic Name: ethyl 2-[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(3-bromophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(3-bromobenzyl)piperazino]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H30BrN3O3S MolecularWeight: 508.4716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30BrN3O3S/c1-4-19-16(3)31-22(21(19)23(29)30-5-2)25-20(28)15-27-11-9-26(10-12-27)14-17-7-6-8-18(24)13-17/h6-8,13H,4-5,9-12,14-15H2,1-3H3,(H,25,28)