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

Systemtic Name: 3-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)quinazolin-4-one CAS Name: 3-(2,4-dimethylphenyl)-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(2,4-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-3-(2,4-dimethylphenyl)quinazolin-4-one Formula: C30H31N3O2S MolecularWeight: 497.65104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C30H31N3O2S/c1-21-12-13-27(22(2)18-21)33-29(35)25-10-6-7-11-26(25)31-30(33)36-20-28(34)32-16-14-24(15-17-32)19-23-8-4-3-5-9-23/h3-13,18,24H,14-17,19-20H2,1-2H3