N-[(3,4-dimethylphenyl)carbamoyl]-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(3,4-dimethylphenyl)carbamoyl]-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(3,4-dimethylphenyl)carbamoyl]-2-[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(3,4-dimethylanilino)-oxomethyl]-2-[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(3,4-dimethylphenyl)carbamoyl]-2-[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[(3,4-dimethylphenyl)carbamoyl]-2-[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N5O3S/c1-15-8-11-21(26-13-15)30-23(32)19-6-4-5-7-20(19)28-25(30)34-14-22(31)29-24(33)27-18-10-9-16(2)17(3)12-18/h4-13H,14H2,1-3H3,(H2,27,29,31,33)