2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H23N3O3S/c1-16(26)25-9-8-17-5-2-3-6-18(17)19(25)15-21(27)23-10-12-24(13-11-23)22(28)20-7-4-14-29-20/h2-9,14,19H,10-13,15H2,1H3/t19-/m0/s1