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

Systemtic Name: ethyl 4-[2-[4-oxidanylidene-3-[4-oxidanylidene-4-(phenethylamino)butyl]quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-oxo-3-[4-oxo-4-(phenethylamino)butyl]quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-oxo-3-[4-oxo-4-(phenethylamino)butyl]-2-quinazolinyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-oxo-3-[4-oxo-4-(phenethylamino)butyl]quinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-keto-3-[4-keto-4-(phenethylamino)butyl]quinazolin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C31H32N4O5S MolecularWeight: 572.67458

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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)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C31H32N4O5S/c1-2-40-30(39)23-14-16-24(17-15-23)33-28(37)21-41-31-34-26-12-7-6-11-25(26)29(38)35(31)20-8-13-27(36)32-19-18-22-9-4-3-5-10-22/h3-7,9-12,14-17H,2,8,13,18-21H2,1H3,(H,32,36)(H,33,37)