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

Systemtic Name: methyl 5-[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[4-[(3-bromophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[4-(3-bromobenzyl)piperazino]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C21H23BrN4O3S MolecularWeight: 491.40132

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O3S/c1-14-17(11-23)20(30-19(14)21(28)29-2)24-18(27)13-26-8-6-25(7-9-26)12-15-4-3-5-16(22)10-15/h3-5,10H,6-9,12-13H2,1-2H3,(H,24,27)