2-[[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]methyl]-1H-quinazolin-4-one Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H24N4O2S/c27-21(26-12-10-25(11-13-26)14-17-6-2-1-3-7-17)16-29-15-20-23-19-9-5-4-8-18(19)22(28)24-20/h1-9H,10-16H2,(H,23,24,28)