2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one

Systemtic Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one Openeye Name: 3-benzyl-2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-6-(1-piperidyl)quinazolin-4-one CAS Name: 2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-3-(phenylmethyl)-6-(1-piperidinyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-piperidin-1-ylquinazolin-4-one Traditional Name: 3-benzyl-2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-6-piperidino-quinazolin-4-one Formula: C29H36N4O2S MolecularWeight: 504.68674

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=C(C=C(C=C3)N4CCCCC4)C(=O)N2CC5=CC=CC=C5)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC3=C(C=C(C=C3)N4CCCCC4)C(=O)N2CC5=CC=CC=C5)C

InChI

InChI=1S/C29H36N4O2S/c1-21-15-22(2)18-32(17-21)27(34)20-36-29-30-26-12-11-24(31-13-7-4-8-14-31)16-25(26)28(35)33(29)19-23-9-5-3-6-10-23/h3,5-6,9-12,16,21-22H,4,7-8,13-15,17-20H2,1-2H3