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

Systemtic Name: ethyl 4-[2-[4-oxidanylidene-3-[3-oxidanylidene-3-(phenethylamino)propyl]quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-oxo-3-[3-oxo-3-(phenethylamino)propyl]quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-oxo-3-[3-oxo-3-(phenethylamino)propyl]-2-quinazolinyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-oxo-3-[3-oxo-3-(phenethylamino)propyl]quinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-keto-3-[3-keto-3-(phenethylamino)propyl]quinazolin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C30H30N4O5S MolecularWeight: 558.648

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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)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C30H30N4O5S/c1-2-39-29(38)22-12-14-23(15-13-22)32-27(36)20-40-30-33-25-11-7-6-10-24(25)28(37)34(30)19-17-26(35)31-18-16-21-8-4-3-5-9-21/h3-15H,2,16-20H2,1H3,(H,31,35)(H,32,36)