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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-3-phenyl-quinazolin-4-one Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-3-phenyl-quinazolin-4-one CAS Name: 2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]-3-phenyl-4-quinazolinone IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]-3-phenyl-quinazolin-4-one Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

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