(2R)-2-azanyl-3-(2,4-dichlorophenyl)-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]piperazin-1-yl]propan-1-one

Systemtic Name: (2R)-2-azanyl-3-(2,4-dichlorophenyl)-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]piperazin-1-yl]propan-1-one Openeye Name: (2R)-2-amino-3-(2,4-dichlorophenyl)-1-[4-[2-[[2-(2-thienyl)ethylamino]methyl]phenyl]piperazin-1-yl]propan-1-one CAS Name: (2R)-2-amino-3-(2,4-dichlorophenyl)-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]-1-piperazinyl]-1-propanone IUPAC Name: (2R)-2-amino-3-(2,4-dichlorophenyl)-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]piperazin-1-yl]propan-1-one Traditional Name: (2R)-2-amino-3-(2,4-dichlorophenyl)-1-[4-[2-[[2-(2-thienyl)ethylamino]methyl]phenyl]piperazino]propan-1-one Formula: C26H30Cl2N4OS MolecularWeight: 517.5136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2CNCCC3=CC=CS3)C(=O)C(CC4=C(C=C(C=C4)Cl)Cl)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2CNCCC3=CC=CS3)C(=O)[C@@H](CC4=C(C=C(C=C4)Cl)Cl)N

InChI

InChI=1S/C26H30Cl2N4OS/c27-21-8-7-19(23(28)17-21)16-24(29)26(33)32-13-11-31(12-14-32)25-6-2-1-4-20(25)18-30-10-9-22-5-3-15-34-22/h1-8,15,17,24,30H,9-14,16,18,29H2/t24-/m1/s1