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

Systemtic Name: 1-benzothiophen-2-yl N-[1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylcarbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamate Openeye Name: benzothiophen-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 1-benzothiophen-2-yl ester IUPAC Name: 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 benzothiophen-2-yl ester Formula: C36H46N4O5S MolecularWeight: 646.83924

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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=CC=CC=C6S5

Isomeric SMILES

C1CCC(C1)(C(=O)N(CCC2=CC=CC=C2)C(=O)NCC3CCN(CC3)CC4CCOCC4)NC(=O)OC5=CC6=CC=CC=C6S5

InChI

InChI=1S/C36H46N4O5S/c41-33(36(17-6-7-18-36)38-35(43)45-32-24-30-10-4-5-11-31(30)46-32)40(21-14-27-8-2-1-3-9-27)34(42)37-25-28-12-19-39(20-13-28)26-29-15-22-44-23-16-29/h1-5,8-11,24,28-29H,6-7,12-23,25-26H2,(H,37,42)(H,38,43)