N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C23H26ClN3O2S MolecularWeight: 443.98944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C)C

InChI

InChI=1S/C23H26ClN3O2S/c1-14(2)9-10-27-22(29)17-7-5-6-8-19(17)25-23(27)30-13-20(28)26-21-16(4)11-15(3)12-18(21)24/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,26,28)