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

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-(4-anilinoquinazolin-2-yl)sulfanyl-ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[(4-anilino-2-quinazolinyl)thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-(4-anilinoquinazolin-2-yl)sulfanylethanone Traditional Name: 1-(4-acetylpiperazino)-2-[(4-anilinoquinazolin-2-yl)thio]ethanone Formula: C22H23N5O2S MolecularWeight: 421.51532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2S/c1-16(28)26-11-13-27(14-12-26)20(29)15-30-22-24-19-10-6-5-9-18(19)21(25-22)23-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3,(H,23,24,25)