ethyl 4-[2-[4-oxidanylidene-3-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-oxidanylidene-3-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-oxo-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-oxo-3-[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]-2-quinazolinyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-oxo-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]quinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-keto-3-[4-keto-4-(4-phenylpiperazino)butyl]quinazolin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C33H35N5O5S MolecularWeight: 613.7265

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C33H35N5O5S/c1-2-43-32(42)24-14-16-25(17-15-24)34-29(39)23-44-33-35-28-12-7-6-11-27(28)31(41)38(33)18-8-13-30(40)37-21-19-36(20-22-37)26-9-4-3-5-10-26/h3-7,9-12,14-17H,2,8,13,18-23H2,1H3,(H,34,39)