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

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(4-acetamido-3-chlorophenyl)-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C23H23ClN4O3S MolecularWeight: 470.97172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4)Cl

InChI

InChI=1S/C23H23ClN4O3S/c1-14(29)25-20-11-10-15(12-18(20)24)26-21(30)13-32-23-27-19-9-5-4-8-17(19)22(31)28(23)16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7,13H2,1H3,(H,25,29)(H,26,30)