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

Systemtic Name: 2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]quinazolin-4-one Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2S/c32-25(30-17-15-29(16-18-30)22-11-5-2-6-12-22)20-34-27-28-24-14-8-7-13-23(24)26(33)31(27)19-21-9-3-1-4-10-21/h1-14H,15-20H2