N-[2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-2-phenyl-ethanamide Openeye Name: N-[2-[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-2-phenyl-acetamide CAS Name: N-[2-[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2-phenylacetamide IUPAC Name: N-[2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-2-phenylacetamide Traditional Name: N-[2-[[3-(2,6-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]-2-phenyl-acetamide Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O3S/c1-17-9-8-10-18(2)24(17)29-25(32)20-13-6-7-14-21(20)27-26(29)33-16-23(31)28-22(30)15-19-11-4-3-5-12-19/h3-14H,15-16H2,1-2H3,(H,28,30,31)