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

Systemtic Name: 6-bromanyl-3-ethyl-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 6-bromo-3-ethyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-bromo-3-ethyl-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 6-bromo-3-ethyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 6-bromo-3-ethyl-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]quinazolin-4-one Formula: C22H23BrN4O2S MolecularWeight: 487.41262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23BrN4O2S/c1-2-27-21(29)18-14-16(23)8-9-19(18)24-22(27)30-15-20(28)26-12-10-25(11-13-26)17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3