5-[2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-[3-(4-butylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[2-[[3-(4-butylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[[3-(4-butylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]isophthalamide Formula: C28H27N5O4S MolecularWeight: 529.61008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC(=C4)C(=O)N)C(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC(=C4)C(=O)N)C(=O)N

InChI

InChI=1S/C28H27N5O4S/c1-2-3-6-17-9-11-21(12-10-17)33-27(37)22-7-4-5-8-23(22)32-28(33)38-16-24(34)31-20-14-18(25(29)35)13-19(15-20)26(30)36/h4-5,7-15H,2-3,6,16H2,1H3,(H2,29,35)(H2,30,36)(H,31,34)