4-[2-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzamide

Systemtic Name: 4-[2-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzamide Openeye Name: 4-[[2-[3-(2,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzamide CAS Name: 4-[[2-[[3-(2,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[[3-(2,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]benzamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C25H22N4O3S/c1-15-7-8-16(2)21(13-15)29-24(32)19-5-3-4-6-20(19)28-25(29)33-14-22(30)27-18-11-9-17(10-12-18)23(26)31/h3-13H,14H2,1-2H3,(H2,26,31)(H,27,30)