N-[1-[[(2R)-1-[2-[1-(oxan-4-yl)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-yl)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-yl-4-piperidyl)ethylamino]ethyl]carbamoyl]cyclopentyl]benzothiophene-2-carboxamide CAS Name: N-[1-[[[(2R)-1-[2-[1-(4-oxanyl)-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-yl)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-yl-4-piperidyl)ethylamino]ethyl]carbamoyl]cyclopentyl]benzothiophene-2-carboxamide Formula: C36H46N4O4S MolecularWeight: 630.83984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC3CCN(CC3)C4CCOCC4)NC(=O)C5=CC6=CC=CC=C6S5

Isomeric SMILES

C1CCC(C1)(C(=O)N[C@H](CC2=CC=CC=C2)C(=O)NCCC3CCN(CC3)C4CCOCC4)NC(=O)C5=CC6=CC=CC=C6S5

InChI

InChI=1S/C36H46N4O4S/c41-33(37-19-12-26-13-20-40(21-14-26)29-15-22-44-23-16-29)30(24-27-8-2-1-3-9-27)38-35(43)36(17-6-7-18-36)39-34(42)32-25-28-10-4-5-11-31(28)45-32/h1-5,8-11,25-26,29-30H,6-7,12-24H2,(H,37,41)(H,38,43)(H,39,42)/t30-/m1/s1