N-[1-[[(2R)-1-[2-[1-(oxan-4-ylmethyl)piperidin-4-yl]ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[1-[[(2R)-1-[2-[1-(oxan-4-ylmethyl)piperidin-4-yl]ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[1-[[(1R)-1-benzyl-2-oxo-2-[2-[1-(tetrahydropyran-4-ylmethyl)-4-piperidyl]ethylamino]ethyl]carbamoyl]cyclopentyl]benzothiophene-2-carboxamide CAS Name: N-[1-[[[(2R)-1-[2-[1-(4-oxanylmethyl)-4-piperidinyl]ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]cyclopentyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-[[(2R)-1-[2-[1-(oxan-4-ylmethyl)piperidin-4-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[1-[[(1R)-1-benzyl-2-keto-2-[2-[1-(tetrahydropyran-4-ylmethyl)-4-piperidyl]ethylamino]ethyl]carbamoyl]cyclopentyl]benzothiophene-2-carboxamide Formula: C37H48N4O4S MolecularWeight: 644.86642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC3CCN(CC3)CC4CCOCC4)NC(=O)C5=CC6=CC=CC=C6S5

Isomeric SMILES

C1CCC(C1)(C(=O)N[C@H](CC2=CC=CC=C2)C(=O)NCCC3CCN(CC3)CC4CCOCC4)NC(=O)C5=CC6=CC=CC=C6S5

InChI

InChI=1S/C37H48N4O4S/c42-34(38-19-12-27-13-20-41(21-14-27)26-29-15-22-45-23-16-29)31(24-28-8-2-1-3-9-28)39-36(44)37(17-6-7-18-37)40-35(43)33-25-30-10-4-5-11-32(30)46-33/h1-5,8-11,25,27,29,31H,6-7,12-24,26H2,(H,38,42)(H,39,44)(H,40,43)/t31-/m1/s1