1-benzothiophen-2-yl N-[1-[[1-(1,3-dioxan-2-ylmethyl)piperidin-4-yl]methylcarbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamate

Systemtic Name: 1-benzothiophen-2-yl N-[1-[[1-(1,3-dioxan-2-ylmethyl)piperidin-4-yl]methylcarbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamate Openeye Name: benzothiophen-2-yl N-[1-[[1-(1,3-dioxan-2-ylmethyl)-4-piperidyl]methylcarbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamate CAS Name: N-[1-[[[[[1-(1,3-dioxan-2-ylmethyl)-4-piperidinyl]methylamino]-oxomethyl]-phenethylamino]-oxomethyl]cyclopentyl]carbamic acid 1-benzothiophen-2-yl ester IUPAC Name: 1-benzothiophen-2-yl N-[1-[[1-(1,3-dioxan-2-ylmethyl)piperidin-4-yl]methylcarbamoyl-phenethylcarbamoyl]cyclopentyl]carbamate Traditional Name: N-[1-[[1-(1,3-dioxan-2-ylmethyl)-4-piperidyl]methylcarbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamic acid benzothiophen-2-yl ester Formula: C35H44N4O6S MolecularWeight: 648.81206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)N(CCC2=CC=CC=C2)C(=O)NCC3CCN(CC3)CC4OCCCO4)NC(=O)OC5=CC6=CC=CC=C6S5

Isomeric SMILES

C1CCC(C1)(C(=O)N(CCC2=CC=CC=C2)C(=O)NCC3CCN(CC3)CC4OCCCO4)NC(=O)OC5=CC6=CC=CC=C6S5

InChI

InChI=1S/C35H44N4O6S/c40-32(35(16-6-7-17-35)37-34(42)45-31-23-28-11-4-5-12-29(28)46-31)39(20-15-26-9-2-1-3-10-26)33(41)36-24-27-13-18-38(19-14-27)25-30-43-21-8-22-44-30/h1-5,9-12,23,27,30H,6-8,13-22,24-25H2,(H,36,41)(H,37,42)