6-bromanyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 6-bromanyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[1-[[(1R)-1-benzyl-2-oxo-2-[[1-(tetrahydropyran-4-ylmethyl)-4-piperidyl]methylamino]ethyl]carbamoyl]cyclopentyl]-6-bromo-benzothiophene-2-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 6-bromo-N-[1-[[[(2R)-1-[[1-(4-oxanylmethyl)-4-piperidinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]cyclopentyl]-1-benzothiophene-2-carboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 6-bromo-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[1-[[(1R)-1-benzyl-2-keto-2-[[1-(tetrahydropyran-4-ylmethyl)-4-piperidyl]methylamino]ethyl]carbamoyl]cyclopentyl]-6-bromo-benzothiophene-2-carboxamide; 2,2,2-trifluoroacetic acid Formula: C38H46BrF3N4O6S MolecularWeight: 823.75925

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3CCN(CC3)CC4CCOCC4)NC(=O)C5=CC6=C(S5)C=C(C=C6)Br.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CCC(C1)(C(=O)N[C@H](CC2=CC=CC=C2)C(=O)NCC3CCN(CC3)CC4CCOCC4)NC(=O)C5=CC6=C(S5)C=C(C=C6)Br.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C36H45BrN4O4S.C2HF3O2/c37-29-9-8-28-21-32(46-31(28)22-29)34(43)40-36(14-4-5-15-36)35(44)39-30(20-25-6-2-1-3-7-25)33(42)38-23-26-10-16-41(17-11-26)24-27-12-18-45-19-13-27;3-2(4,5)1(6)7/h1-3,6-9,21-22,26-27,30H,4-5,10-20,23-24H2,(H,38,42)(H,39,44)(H,40,43);(H,6,7)/t30-;/m1./s1