2-(4-methylquinolin-2-yl)sulfanyl-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N3O2S2/c1-15-13-19(22-17-6-3-2-5-16(15)17)28-14-20(25)23-8-10-24(11-9-23)21(26)18-7-4-12-27-18/h2-7,12-13H,8-11,14H2,1H3