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

Systemtic Name: [2-(3-chlorophenyl)sulfanylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [2-(3-chlorophenyl)sulfanyl-4-quinolyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [2-[(3-chlorophenyl)thio]-4-quinolinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [2-(3-chlorophenyl)sulfanylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [2-[(3-chlorophenyl)thio]-4-quinolyl]-(4-phenylpiperazino)methanone Formula: C26H22ClN3OS MolecularWeight: 459.99038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)SC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)SC5=CC(=CC=C5)Cl

InChI

InChI=1S/C26H22ClN3OS/c27-19-7-6-10-21(17-19)32-25-18-23(22-11-4-5-12-24(22)28-25)26(31)30-15-13-29(14-16-30)20-8-2-1-3-9-20/h1-12,17-18H,13-16H2