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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-3-(4-propan-2-ylphenyl)quinazolin-4-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(4-isopropylphenyl)quinazolin-4-one CAS Name: 2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-3-(4-propan-2-ylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(4-propan-2-ylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-3-p-cumenyl-quinazolin-4-one Formula: C31H33N3O2S MolecularWeight: 511.67762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33N3O2S/c1-22(2)25-12-14-26(15-13-25)34-30(36)27-10-6-7-11-28(27)32-31(34)37-21-29(35)33-18-16-24(17-19-33)20-23-8-4-3-5-9-23/h3-15,22,24H,16-21H2,1-2H3