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

Systemtic Name: methyl 3-[2-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-[(4-isopropoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-[4-[(4-propan-2-yloxyphenyl)methyl]-1-piperazinyl]ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-(4-isopropoxybenzyl)piperazino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C22H29N3O4S/c1-16(2)29-18-6-4-17(5-7-18)14-24-9-11-25(12-10-24)15-20(26)23-19-8-13-30-21(19)22(27)28-3/h4-8,13,16H,9-12,14-15H2,1-3H3,(H,23,26)