[2-(3-chlorophenyl)sulfanylquinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(3-chlorophenyl)sulfanylquinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(3-chlorophenyl)sulfanyl-4-quinolyl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [2-[(3-chlorophenyl)thio]-4-quinolinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [2-(3-chlorophenyl)sulfanylquinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-[(3-chlorophenyl)thio]-4-quinolyl]-[4-(2-pyridyl)piperazino]methanone Formula: C25H21ClN4OS MolecularWeight: 460.97844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=NC4=CC=CC=C43)SC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=NC4=CC=CC=C43)SC5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H21ClN4OS/c26-18-6-5-7-19(16-18)32-24-17-21(20-8-1-2-9-22(20)28-24)25(31)30-14-12-29(13-15-30)23-10-3-4-11-27-23/h1-11,16-17H,12-15H2