6-methyl-N-[1-[[(2S)-5-(4-morpholin-4-ylcarbonylpiperazin-1-yl)-1-phenyl-pentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 6-methyl-N-[1-[[(2S)-5-(4-morpholin-4-ylcarbonylpiperazin-1-yl)-1-phenyl-pentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[1-[[(1S)-1-benzyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]butyl]carbamoyl]cyclopentyl]-6-methyl-benzothiophene-2-carboxamide CAS Name: 6-methyl-N-[1-[[[(2S)-5-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]-1-phenylpentan-2-yl]amino]-oxomethyl]cyclopentyl]-1-benzothiophene-2-carboxamide IUPAC Name: 6-methyl-N-[1-[[(2S)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[1-[[(1S)-1-benzyl-4-[4-(morpholine-4-carbonyl)piperazino]butyl]carbamoyl]cyclopentyl]-6-methyl-benzothiophene-2-carboxamide Formula: C36H47N5O4S MolecularWeight: 645.85448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(S2)C(=O)NC3(CCCC3)C(=O)NC(CCCN4CCN(CC4)C(=O)N5CCOCC5)CC6=CC=CC=C6

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(S2)C(=O)NC3(CCCC3)C(=O)N[C@@H](CCCN4CCN(CC4)C(=O)N5CCOCC5)CC6=CC=CC=C6

InChI

InChI=1S/C36H47N5O4S/c1-27-11-12-29-26-32(46-31(29)24-27)33(42)38-36(13-5-6-14-36)34(43)37-30(25-28-8-3-2-4-9-28)10-7-15-39-16-18-40(19-17-39)35(44)41-20-22-45-23-21-41/h2-4,8-9,11-12,24,26,30H,5-7,10,13-23,25H2,1H3,(H,37,43)(H,38,42)/t30-/m0/s1