2-(4-phenylazanylquinazolin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-phenylazanylquinazolin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]-1-(4-phenylpiperazino)ethanone Formula: C26H25N5OS MolecularWeight: 455.5746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5=CC=CC=C5

InChI

InChI=1S/C26H25N5OS/c32-24(31-17-15-30(16-18-31)21-11-5-2-6-12-21)19-33-26-28-23-14-8-7-13-22(23)25(29-26)27-20-9-3-1-4-10-20/h1-14H,15-19H2,(H,27,28,29)