4-[3-(2,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)butanamide

Systemtic Name: 4-[3-(2,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)butanamide Openeye Name: 4-[3-(2,4-dichlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)butanamide CAS Name: 4-[[3-(2,4-dichlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(3,4-dimethylphenyl)butanamide IUPAC Name: 4-[3-(2,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)butanamide Traditional Name: 4-[[3-(2,4-dichlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(3,4-dimethylphenyl)butyramide Formula: C26H23Cl2N3O2S MolecularWeight: 512.45072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)Cl)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)Cl)Cl)C

InChI

InChI=1S/C26H23Cl2N3O2S/c1-16-9-11-19(14-17(16)2)29-24(32)8-5-13-34-26-30-22-7-4-3-6-20(22)25(33)31(26)23-12-10-18(27)15-21(23)28/h3-4,6-7,9-12,14-15H,5,8,13H2,1-2H3,(H,29,32)