N-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxidanylidene-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxidanylidene-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[4-oxo-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-[3-keto-3-(4-phenylpiperazino)propyl]quinazolin-2-yl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C27H28N6O4S MolecularWeight: 532.61402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N6O4S/c1-19-17-23(30-37-19)29-24(34)18-38-27-28-22-10-6-5-9-21(22)26(36)33(27)12-11-25(35)32-15-13-31(14-16-32)20-7-3-2-4-8-20/h2-10,17H,11-16,18H2,1H3,(H,29,30,34)