[4-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[[2-chloro-7-(methylthio)-3-quinolyl]methyl]piperazino]-(2-thienyl)methanone Formula: C20H20ClN3OS2 MolecularWeight: 417.9753

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)C(=O)C4=CC=CS4)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)C(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C20H20ClN3OS2/c1-26-16-5-4-14-11-15(19(21)22-17(14)12-16)13-23-6-8-24(9-7-23)20(25)18-3-2-10-27-18/h2-5,10-12H,6-9,13H2,1H3