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

Systemtic Name: methyl 3-[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[4-[(3-bromophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-(3-bromobenzyl)piperazino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H22BrN3O3S MolecularWeight: 452.36528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H22BrN3O3S/c1-26-19(25)18-16(5-10-27-18)21-17(24)13-23-8-6-22(7-9-23)12-14-3-2-4-15(20)11-14/h2-5,10-11H,6-9,12-13H2,1H3,(H,21,24)