1-benzothiophen-2-yl N-[1-[[3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]carbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamate

Systemtic Name: 1-benzothiophen-2-yl N-[1-[[3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]carbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamate Openeye Name: benzothiophen-2-yl N-[1-[[3-oxo-3-[4-(2-pyridyl)piperazin-1-yl]propyl]carbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamate CAS Name: N-[1-[oxo-[[oxo-[[3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propyl]amino]methyl]-phenethylamino]methyl]cyclopentyl]carbamic acid 1-benzothiophen-2-yl ester IUPAC Name: 1-benzothiophen-2-yl N-[1-[[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]carbamoyl-phenethylcarbamoyl]cyclopentyl]carbamate Traditional Name: N-[1-[[3-keto-3-[4-(2-pyridyl)piperazino]propyl]carbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamic acid benzothiophen-2-yl ester Formula: C36H40N6O5S MolecularWeight: 668.805

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)N(CCC2=CC=CC=C2)C(=O)NCCC(=O)N3CCN(CC3)C4=CC=CC=N4)NC(=O)OC5=CC6=CC=CC=C6S5

Isomeric SMILES

C1CCC(C1)(C(=O)N(CCC2=CC=CC=C2)C(=O)NCCC(=O)N3CCN(CC3)C4=CC=CC=N4)NC(=O)OC5=CC6=CC=CC=C6S5

InChI

InChI=1S/C36H40N6O5S/c43-31(41-24-22-40(23-25-41)30-14-6-9-19-37-30)15-20-38-34(45)42(21-16-27-10-2-1-3-11-27)33(44)36(17-7-8-18-36)39-35(46)47-32-26-28-12-4-5-13-29(28)48-32/h1-6,9-14,19,26H,7-8,15-18,20-25H2,(H,38,45)(H,39,46)