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

Systemtic Name: methyl 3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-(4-chlorobenzyl)piperazino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H22ClN3O3S MolecularWeight: 407.91428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O3S/c1-26-19(25)18-16(6-11-27-18)21-17(24)13-23-9-7-22(8-10-23)12-14-2-4-15(20)5-3-14/h2-6,11H,7-10,12-13H2,1H3,(H,21,24)