2-[[4-(2-methylsulfanylphenyl)carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(2-methylsulfanylphenyl)carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[[2-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[2-(methylthio)benzoyl]piperazino]methyl]-1H-quinazolin-4-one Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H22N4O2S/c1-28-18-9-5-3-7-16(18)21(27)25-12-10-24(11-13-25)14-19-22-17-8-4-2-6-15(17)20(26)23-19/h2-9H,10-14H2,1H3,(H,22,23,26)