N-(4-bromanyl-2-chloranyl-phenyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(4-bromo-2-chlorophenyl)-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H19BrClN3O2S MolecularWeight: 492.81646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C21H19BrClN3O2S/c22-13-9-10-18(16(23)11-13)24-19(27)12-29-21-25-17-8-4-3-7-15(17)20(28)26(21)14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6,12H2,(H,24,27)