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

Systemtic Name: N-[1-[[(2S)-5-(4-methanoylpiperazin-1-yl)-1-phenyl-pentan-2-yl]carbamoyl]cyclopentyl]-6-methyl-1-benzothiophene-2-carboxamide Openeye Name: N-[1-[[(1S)-1-benzyl-4-(4-formylpiperazin-1-yl)butyl]carbamoyl]cyclopentyl]-6-methyl-benzothiophene-2-carboxamide CAS Name: N-[1-[[[(2S)-5-(4-formyl-1-piperazinyl)-1-phenylpentan-2-yl]amino]-oxomethyl]cyclopentyl]-6-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-[[(2S)-5-(4-formylpiperazin-1-yl)-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-6-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-[1-[[(1S)-1-benzyl-4-(4-formylpiperazino)butyl]carbamoyl]cyclopentyl]-6-methyl-benzothiophene-2-carboxamide Formula: C32H40N4O3S MolecularWeight: 560.75

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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)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(S2)C(=O)NC3(CCCC3)C(=O)N[C@@H](CCCN4CCN(CC4)C=O)CC5=CC=CC=C5

InChI

InChI=1S/C32H40N4O3S/c1-24-11-12-26-22-29(40-28(26)20-24)30(38)34-32(13-5-6-14-32)31(39)33-27(21-25-8-3-2-4-9-25)10-7-15-35-16-18-36(23-37)19-17-35/h2-4,8-9,11-12,20,22-23,27H,5-7,10,13-19,21H2,1H3,(H,33,39)(H,34,38)/t27-/m0/s1