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

Systemtic Name: (6-bromanyl-1-benzothiophen-2-yl) N-[1-[[3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]carbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamate Openeye Name: (6-bromobenzothiophen-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 (6-bromo-1-benzothiophen-2-yl) ester IUPAC Name: (6-bromo-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 (6-bromobenzothiophen-2-yl) ester Formula: C36H39BrN6O5S MolecularWeight: 747.70106

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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=C(S5)C=C(C=C6)Br

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=C(S5)C=C(C=C6)Br

InChI

InChI=1S/C36H39BrN6O5S/c37-28-12-11-27-24-32(49-29(27)25-28)48-35(47)40-36(15-5-6-16-36)33(45)43(19-14-26-8-2-1-3-9-26)34(46)39-18-13-31(44)42-22-20-41(21-23-42)30-10-4-7-17-38-30/h1-4,7-12,17,24-25H,5-6,13-16,18-23H2,(H,39,46)(H,40,47)