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

Systemtic Name: 2-[2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzamide Openeye Name: 2-[[2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzamide CAS Name: 2-[[2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide Traditional Name: 2-[[2-[[3-(3,5-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(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4C(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4C(=O)N)C

InChI

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