(6-iodanyl-1-benzothiophen-2-yl) N-[1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylcarbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamate

Systemtic Name: (6-iodanyl-1-benzothiophen-2-yl) N-[1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylcarbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamate Openeye Name: (6-iodobenzothiophen-2-yl) N-[1-[phenethyl-[[1-(tetrahydropyran-4-ylmethyl)-4-piperidyl]methylcarbamoyl]carbamoyl]cyclopentyl]carbamate CAS Name: N-[1-[[[[[1-(4-oxanylmethyl)-4-piperidinyl]methylamino]-oxomethyl]-phenethylamino]-oxomethyl]cyclopentyl]carbamic acid (6-iodo-1-benzothiophen-2-yl) ester IUPAC Name: (6-iodo-1-benzothiophen-2-yl) N-[1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylcarbamoyl-phenethylcarbamoyl]cyclopentyl]carbamate Traditional Name: N-[1-[phenethyl-[[1-(tetrahydropyran-4-ylmethyl)-4-piperidyl]methylcarbamoyl]carbamoyl]cyclopentyl]carbamic acid (6-iodobenzothiophen-2-yl) ester Formula: C36H45IN4O5S MolecularWeight: 772.73577

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)N(CCC2=CC=CC=C2)C(=O)NCC3CCN(CC3)CC4CCOCC4)NC(=O)OC5=CC6=C(S5)C=C(C=C6)I

Isomeric SMILES

C1CCC(C1)(C(=O)N(CCC2=CC=CC=C2)C(=O)NCC3CCN(CC3)CC4CCOCC4)NC(=O)OC5=CC6=C(S5)C=C(C=C6)I

InChI

InChI=1S/C36H45IN4O5S/c37-30-9-8-29-22-32(47-31(29)23-30)46-35(44)39-36(15-4-5-16-36)33(42)41(19-12-26-6-2-1-3-7-26)34(43)38-24-27-10-17-40(18-11-27)25-28-13-20-45-21-14-28/h1-3,6-9,22-23,27-28H,4-5,10-21,24-25H2,(H,38,43)(H,39,44)