ethyl 2-[2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[3-(3-morpholinopropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[3-[3-(4-morpholinyl)propyl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[4-keto-3-(3-morpholinopropyl)quinazolin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C26H30N4O5S MolecularWeight: 510.6052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4

InChI

InChI=1S/C26H30N4O5S/c1-2-35-25(33)20-9-4-6-11-22(20)27-23(31)18-36-26-28-21-10-5-3-8-19(21)24(32)30(26)13-7-12-29-14-16-34-17-15-29/h3-6,8-11H,2,7,12-18H2,1H3,(H,27,31)