6-bromanyl-3-[[4-(4-ethylpiperazin-1-yl)carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[[4-(4-ethylpiperazin-1-yl)carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[[4-[(4-ethyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-[4-(4-ethylpiperazine-1-carbonyl)benzyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H23BrN4O2S MolecularWeight: 487.41262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

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