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

Systemtic Name: 5-[2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[1-oxo-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]ethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]isophthalamide Formula: C25H21N5O4S MolecularWeight: 487.53034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC(=C4)C(=O)N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC(=C4)C(=O)N)C(=O)N

InChI

InChI=1S/C25H21N5O4S/c26-22(32)16-10-17(23(27)33)12-18(11-16)28-21(31)14-35-25-29-20-9-5-4-8-19(20)24(34)30(25)13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H2,26,32)(H2,27,33)(H,28,31)