4-[4-[[4-oxidanylidene-3-(phenylcarbonyl)-2-(phenylmethylsulfanyl)quinazolin-5-yl]oxymethyl]phenyl]carbonylpiperazine-1-carbaldehyde

Systemtic Name: 4-[4-[[4-oxidanylidene-3-(phenylcarbonyl)-2-(phenylmethylsulfanyl)quinazolin-5-yl]oxymethyl]phenyl]carbonylpiperazine-1-carbaldehyde Openeye Name: 4-[4-[(3-benzoyl-2-benzylsulfanyl-4-oxo-quinazolin-5-yl)oxymethyl]benzoyl]piperazine-1-carbaldehyde CAS Name: 4-[[4-[[3-benzoyl-4-oxo-2-(phenylmethylthio)-5-quinazolinyl]oxymethyl]phenyl]-oxomethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-[(3-benzoyl-2-benzylsulfanyl-4-oxoquinazolin-5-yl)oxymethyl]benzoyl]piperazine-1-carbaldehyde Traditional Name: 4-[4-[[3-benzoyl-2-(benzylthio)-4-keto-quinazolin-5-yl]oxymethyl]benzoyl]piperazine-1-carbaldehyde Formula: C35H30N4O5S MolecularWeight: 618.7015

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=O)C2=CC=C(C=C2)COC3=CC=CC4=C3C(=O)N(C(=N4)SCC5=CC=CC=C5)C(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C=O)C(=O)C2=CC=C(C=C2)COC3=CC=CC4=C3C(=O)N(C(=N4)SCC5=CC=CC=C5)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C35H30N4O5S/c40-24-37-18-20-38(21-19-37)32(41)28-16-14-25(15-17-28)22-44-30-13-7-12-29-31(30)34(43)39(33(42)27-10-5-2-6-11-27)35(36-29)45-23-26-8-3-1-4-9-26/h1-17,24H,18-23H2