1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazino]-2-(quinazolin-4-ylthio)ethanone Formula: C19H19ClN4OS2 MolecularWeight: 418.96336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C19H19ClN4OS2/c20-17-6-5-14(27-17)11-23-7-9-24(10-8-23)18(25)12-26-19-15-3-1-2-4-16(15)21-13-22-19/h1-6,13H,7-12H2