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

Systemtic Name: 2-[[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]methyl]-1H-quinazolin-4-one Formula: C23H25N3O2S MolecularWeight: 407.5285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H25N3O2S/c27-22(26-12-10-18(11-13-26)14-17-6-2-1-3-7-17)16-29-15-21-24-20-9-5-4-8-19(20)23(28)25-21/h1-9,18H,10-16H2,(H,24,25,28)