ethyl 4-[2-[4-oxidanylidene-3-(3-oxidanylidene-3-piperidin-1-yl-propyl)quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-oxidanylidene-3-(3-oxidanylidene-3-piperidin-1-yl-propyl)quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-oxo-3-[3-oxo-3-(1-piperidyl)propyl]quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-oxo-3-[3-oxo-3-(1-piperidinyl)propyl]-2-quinazolinyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-oxo-3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-keto-3-(3-keto-3-piperidino-propyl)quinazolin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C27H30N4O5S MolecularWeight: 522.6159

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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)N2CCC(=O)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)N4CCCCC4

InChI

InChI=1S/C27H30N4O5S/c1-2-36-26(35)19-10-12-20(13-11-19)28-23(32)18-37-27-29-22-9-5-4-8-21(22)25(34)31(27)17-14-24(33)30-15-6-3-7-16-30/h4-5,8-13H,2-3,6-7,14-18H2,1H3,(H,28,32)