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

Systemtic Name: methyl 3-[2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-(4-benzyloxyphenyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-[4-(4-phenylmethoxyphenyl)-1-piperazinyl]ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-(4-benzoxyphenyl)piperazino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S/c1-31-25(30)24-22(11-16-33-24)26-23(29)17-27-12-14-28(15-13-27)20-7-9-21(10-8-20)32-18-19-5-3-2-4-6-19/h2-11,16H,12-15,17-18H2,1H3,(H,26,29)