N-(2-methoxyphenyl)-4-[2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzamide

Systemtic Name: N-(2-methoxyphenyl)-4-[2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzamide Openeye Name: N-(2-methoxyphenyl)-4-[[2-[3-(3-morpholinopropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzamide CAS Name: N-(2-methoxyphenyl)-4-[[2-[[3-[3-(4-morpholinyl)propyl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(2-methoxyphenyl)-4-[[2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[[4-keto-3-(3-morpholinopropyl)quinazolin-2-yl]thio]acetyl]amino]-N-(2-methoxyphenyl)benzamide Formula: C31H33N5O5S MolecularWeight: 587.68922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCN5CCOCC5

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCN5CCOCC5

InChI

InChI=1S/C31H33N5O5S/c1-40-27-10-5-4-9-26(27)33-29(38)22-11-13-23(14-12-22)32-28(37)21-42-31-34-25-8-3-2-7-24(25)30(39)36(31)16-6-15-35-17-19-41-20-18-35/h2-5,7-14H,6,15-21H2,1H3,(H,32,37)(H,33,38)