2-quinolin-2-ylsulfanyl-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-quinolin-2-ylsulfanyl-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-(2-quinolylsulfanyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 2-quinolin-2-ylsulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(2-quinolylthio)-1-[4-(2-thenoyl)piperazino]ethanone Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C=C2)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C=C2)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H19N3O2S2/c24-19(14-27-18-8-7-15-4-1-2-5-16(15)21-18)22-9-11-23(12-10-22)20(25)17-6-3-13-26-17/h1-8,13H,9-12,14H2