[3,5-bis(trifluoromethyl)phenyl]-[2-(naphthalen-2-ylmethyl)-4-[(E)-4-thiomorpholin-4-ylbut-2-enyl]piperazin-1-yl]methanone

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(naphthalen-2-ylmethyl)-4-[(E)-4-thiomorpholin-4-ylbut-2-enyl]piperazin-1-yl]methanone Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(2-naphthylmethyl)-4-[(E)-4-thiomorpholinobut-2-enyl]piperazin-1-yl]methanone CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(2-naphthalenylmethyl)-4-[(E)-4-thiomorpholin-4-ylbut-2-enyl]-1-piperazinyl]methanone IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(naphthalen-2-ylmethyl)-4-[(E)-4-thiomorpholin-4-ylbut-2-enyl]piperazin-1-yl]methanone Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(2-naphthylmethyl)-4-[(E)-4-thiomorpholinobut-2-enyl]piperazino]methanone Formula: C32H33F6N3OS MolecularWeight: 621.679339

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC=CCN2CCSCC2)CC3=CC4=CC=CC=C4C=C3)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(C(CN1C/C=C/CN2CCSCC2)CC3=CC4=CC=CC=C4C=C3)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C32H33F6N3OS/c33-31(34,35)27-19-26(20-28(21-27)32(36,37)38)30(42)41-12-11-40(10-4-3-9-39-13-15-43-16-14-39)22-29(41)18-23-7-8-24-5-1-2-6-25(24)17-23/h1-8,17,19-21,29H,9-16,18,22H2/b4-3+