3-(furan-2-ylmethyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(furan-2-ylmethyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(2-furylmethyl)quinazolin-4-one CAS Name: 3-(2-furanylmethyl)-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-3-(2-furfuryl)quinazolin-4-one Formula: C27H27N3O3S MolecularWeight: 473.58658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5

InChI

InChI=1S/C27H27N3O3S/c31-25(29-14-12-21(13-15-29)17-20-7-2-1-3-8-20)19-34-27-28-24-11-5-4-10-23(24)26(32)30(27)18-22-9-6-16-33-22/h1-11,16,21H,12-15,17-19H2