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

Systemtic Name: 4-[4-oxidanylidene-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[4-oxo-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]benzonitrile Formula: C29H26N4O2S MolecularWeight: 494.60734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

InChI

InChI=1S/C29H26N4O2S/c30-19-23-10-12-24(13-11-23)33-28(35)25-8-4-5-9-26(25)31-29(33)36-20-27(34)32-16-14-22(15-17-32)18-21-6-2-1-3-7-21/h1-13,22H,14-18,20H2