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

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(naphthalen-1-ylmethyl)-4-(4-thiomorpholin-4-ylbut-2-ynyl)piperazin-1-yl]methanone Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(1-naphthylmethyl)-4-(4-thiomorpholinobut-2-ynyl)piperazin-1-yl]methanone CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(1-naphthalenylmethyl)-4-(4-thiomorpholin-4-ylbut-2-ynyl)-1-piperazinyl]methanone IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(naphthalen-1-ylmethyl)-4-(4-thiomorpholin-4-ylbut-2-ynyl)piperazin-1-yl]methanone Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(1-naphthylmethyl)-4-(4-thiomorpholinobut-2-ynyl)piperazino]methanone Formula: C32H31F6N3OS MolecularWeight: 619.663459

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC#CCN2CCSCC2)CC3=CC=CC4=CC=CC=C43)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(C(CN1CC#CCN2CCSCC2)CC3=CC=CC4=CC=CC=C43)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C32H31F6N3OS/c33-31(34,35)26-18-25(19-27(21-26)32(36,37)38)30(42)41-13-12-40(11-4-3-10-39-14-16-43-17-15-39)22-28(41)20-24-8-5-7-23-6-1-2-9-29(23)24/h1-2,5-9,18-19,21,28H,10-17,20,22H2