6-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]hexanamide

Systemtic Name: 6-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]hexanamide Openeye Name: 6-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]hexanamide CAS Name: 6-[2-[(3,4-dichlorophenyl)methylthio]-4-oxo-3-quinazolinyl]hexanamide IUPAC Name: 6-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]hexanamide Traditional Name: 6-[2-[(3,4-dichlorobenzyl)thio]-4-keto-quinazolin-3-yl]hexanamide Formula: C21H21Cl2N3O2S MolecularWeight: 450.38134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=C(C=C3)Cl)Cl)CCCCCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=C(C=C3)Cl)Cl)CCCCCC(=O)N

InChI

InChI=1S/C21H21Cl2N3O2S/c22-16-10-9-14(12-17(16)23)13-29-21-25-18-7-4-3-6-15(18)20(28)26(21)11-5-1-2-8-19(24)27/h3-4,6-7,9-10,12H,1-2,5,8,11,13H2,(H2,24,27)