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

Systemtic Name: N-[2,6-bis(chloranyl)phenyl]-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,6-dichlorophenyl)acetamide CAS Name: 2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-N-(2,6-dichlorophenyl)acetamide IUPAC Name: 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,6-dichlorophenyl)acetamide Traditional Name: 2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]-N-(2,6-dichlorophenyl)acetamide Formula: C21H19Cl2N3O2S MolecularWeight: 448.36546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC=C4Cl)Cl

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C21H19Cl2N3O2S/c22-15-9-5-10-16(23)19(15)25-18(27)12-29-21-24-17-11-4-3-8-14(17)20(28)26(21)13-6-1-2-7-13/h3-5,8-11,13H,1-2,6-7,12H2,(H,25,27)