2-[4-oxidanylidene-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-oxidanylidene-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-oxo-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-2-quinazolinyl]thio]acetic acid IUPAC Name: 2-[4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-keto-3-[3-keto-3-(4-phenylpiperazino)propyl]quinazolin-2-yl]thio]acetic acid Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4N=C3SCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4N=C3SCC(=O)O

InChI

InChI=1S/C23H24N4O4S/c28-20(26-14-12-25(13-15-26)17-6-2-1-3-7-17)10-11-27-22(31)18-8-4-5-9-19(18)24-23(27)32-16-21(29)30/h1-9H,10-16H2,(H,29,30)