4-(1-benzothiophen-2-ylcarbonyl)-1-[(4-chlorophenyl)methyl]-6-(phenylmethyl)piperazin-2-one

Systemtic Name: 4-(1-benzothiophen-2-ylcarbonyl)-1-[(4-chlorophenyl)methyl]-6-(phenylmethyl)piperazin-2-one Openeye Name: 4-(benzothiophene-2-carbonyl)-6-benzyl-1-[(4-chlorophenyl)methyl]piperazin-2-one CAS Name: 4-[1-benzothiophen-2-yl(oxo)methyl]-1-[(4-chlorophenyl)methyl]-6-(phenylmethyl)-2-piperazinone IUPAC Name: 4-(1-benzothiophene-2-carbonyl)-6-benzyl-1-[(4-chlorophenyl)methyl]piperazin-2-one Traditional Name: 4-(benzothiophene-2-carbonyl)-6-benzyl-1-(4-chlorobenzyl)piperazin-2-one Formula: C27H23ClN2O2S MolecularWeight: 475.00172

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)CN1C(=O)C2=CC3=CC=CC=C3S2)CC4=CC=C(C=C4)Cl)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(C(=O)CN1C(=O)C2=CC3=CC=CC=C3S2)CC4=CC=C(C=C4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C27H23ClN2O2S/c28-22-12-10-20(11-13-22)16-30-23(14-19-6-2-1-3-7-19)17-29(18-26(30)31)27(32)25-15-21-8-4-5-9-24(21)33-25/h1-13,15,23H,14,16-18H2