[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)C3=C(SC4=C3CCCC4)NC(=O)C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)C3=C(SC4=C3CCCC4)NC(=O)C

InChI

InChI=1S/C25H31N3O4S/c1-17(24(30)28-14-12-27(13-15-28)16-19-8-4-3-5-9-19)32-25(31)22-20-10-6-7-11-21(20)33-23(22)26-18(2)29/h3-5,8-9,17H,6-7,10-16H2,1-2H3,(H,26,29)